SCHEMBL4501611

SCHEMBL4501611

c1ccc2cc3nc4ccccc4c-3ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAOA P21397 1/20 0.47
ACACA Q13085 3/20 0.46
TERT O14746 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ACHE P22303 3/20 0.43
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
NQO2 P16083 1/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
CYP2A6 P11509 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4514971 0.84 NPC1 (0.47) MEN1KMT2AMAOAACACATERT
SCHEMBL4508989 0.83 CLK1 (0.51) MEN1KMT2AMAOAACACAHPGD
Ammonia Solution, Strong SCHEMBL27392709 0.81 ACHE (0.50) MEN1KMT2AMAOAACACATERT
SCHEMBL21667415 0.78 ACACA (0.53) MEN1KMT2AMAOAACACAACHE
SCHEMBL29726808 0.78 ACACA (0.65) MEN1KMT2AACACANPC1RAB9A
SCHEMBL4509948 0.77 CYP1A2 (0.48) MEN1KMT2AMAOATERTRAB9A
SCHEMBL21667599 0.77 ACACA (0.63) ACACAACHEESR1ESR2HPGD
SCHEMBL1821332 0.76 ACHE (0.55) MEN1KMT2AMAOAACACARAB9A
SCHEMBL21215923 0.76 ALDH1A1 (0.43) MEN1KMT2ANPC1RAB9AACHE
SCHEMBL21215911 0.74 ALDH1A1 (0.41) MEN1KMT2ANPC1RAB9AACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382860-A1 Bioactive Benzocycloheptene Analogues From Himachalenes and its Applications COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-30 US disclosed
US-8252814-B2 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-28 US disclosed
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ISHIHARA YUJI 2009-10-22 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
EP-1891954-A2 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2008-02-27 EP disclosed
US-20070232538-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2007-10-04 US disclosed
US-20070021391-A1 Preventive/remedy for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-25 US disclosed
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ISIHARA YUJI 2006-12-14 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20040063699-A1 Gpr14 antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
US-20040053826-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-18 US disclosed
US-20030207863-A1 Preventives and remedies for central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-11-06 US disclosed
EP-1331010-A1 PREVENTIVES AND REMEDIES FOR CENTRAL NERVOUS SYSTEM DISEASES Takeda Chemical Industries, Ltd. (JP) 2003-07-30 EP disclosed
EP-1308513-A1 USE OF POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2003-05-07 EP disclosed
US-6534496-B1 Prophylactic and/or therapeutic drug for obesity and obesity associated diseasestor diabetes with a reduced risk for central side effects and high universality in usage. Another object of the a lipolytic agent, or a prophylactic and/or TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2003-03-18 US disclosed
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-11-28 US disclosed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP disclosed
US-5620973-A CHOLINESTERASE INHIBITOR; ALZHEIMER*S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-15 US disclosed
EP-0655451-A1 Tetracyclic condensed heterocyclic compounds for the treatment of senile dementia TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-31 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070021391-A1 Preventive/remedy for urinary disturbance ACHE, BCHE, CHAT MEN1 2903/4885KMT2A 2626/4885MAOA 88/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A MEN1 3293/4885KMT2A 1919/4885MAOA 109/4885
US-20230382860-A1 Bioactive Benzocycloheptene Analogues From Himachalenes and its Applications HK2, GPR119, PIK3CD MEN1 2943/4885KMT2A 536/4885MAOA 1783/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE MEN1 3760/4885KMT2A 1482/4885MAOA 155/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR MEN1 4302/4885KMT2A 2960/4885MAOA 1801/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A MEN1 3303/4885KMT2A 1771/4885MAOA 137/4885
US-20040053826-A1 Uses of polypeptides NPSR1, SCTR, GRPR MEN1 4302/4885KMT2A 2960/4885MAOA 1801/4885
US-20030207863-A1 Preventives and remedies for central nervous system diseases UTS2R, PRSS12, CTSA MEN1 904/4885KMT2A 3443/4885MAOA 700/4885
US-20040063699-A1 Gpr14 antagonist GPR142, GPR139, GPR4 MEN1 3436/4885KMT2A 1233/4885MAOA 3241/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.