SCHEMBL4501277

SCHEMBL4501277

c1cc2ccn3c4ccncc4c(c1)c23

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
ACHE P22303 1/20 0.41
MAPT P10636 8/20 0.37
IDO1 P14902 1/20 0.37
TNF P01375 1/20 0.37
CYP2D6 P10635 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL4512211 0.78 ALKBH5 (0.41) MAPTIDO1CYP1A2CYP2C19KDM4E
SCHEMBL31190839 0.78 ALKBH5 (0.41) MAPTIDO1CYP1A2CYP2C19KDM4E
Hydrochloric Acid SCHEMBL27528480 0.77 ALKBH5 (0.40) MAPTIDO1CYP1A2CYP2C19KDM4E
SCHEMBL24117568 0.75 MAOA (0.49) MAOAMAOBACHEMAPTTNF
SCHEMBL10153679 0.72 PGR (0.32)
SCHEMBL16656735 0.70 MAOA (0.56) MAOAMAOBACHEMAPTCYP2D6
SCHEMBL24703291 0.70 KDM4E (0.37) MAPTIDO1LMNACYP1A2KDM4E
SCHEMBL10153712 0.70 MAOA (0.38) MAOAMAOBACHECYP2D6CNR1
SCHEMBL21889254 0.69 MAOA (0.42) MAOAMAOBACHEMAPTTNF
SCHEMBL4507803 0.69 PARP1 (0.40) MAPTCYP2D6LMNACYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US 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
US-4238607-A ANTIBIOTICS, SEDATIVES, HYPOTENSIVE AGENTS, AND ANTIDEPRESSANTS ENDO LABORATORIES INC. (US) 1980-12-09 US disclosed
US-4183936-A SEDATIVES, ANTIDEPRESSANTS, HYPOTENSIVE AGENTS, BACTERICIDES ENDO LABORATORIES, INC. (US) 1980-01-15 US disclosed
US-4115577-A SEDATIVES, ANTIDEPRESSANT ANTIHYPERTENSIVE, ANTIBACTERIAL ENDO LABORATORIES, INC. (US) 1978-09-19 US disclosed
US-4013652-A SEDATIVES ENDO LABORATORIES, INC. (US) 1977-03-22 US 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 (6 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 MAOA 88/4885MAOB 53/4885ACHE 1/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A MAOA 109/4885MAOB 207/4885ACHE 1/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE MAOA 155/4885MAOB 259/4885ACHE 1/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR MAOA 1801/4885MAOB 1973/4885ACHE 2825/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A MAOA 137/4885MAOB 233/4885ACHE 1/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE MAOA 54/4885MAOB 108/4885ACHE 1/4885

“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.