SCHEMBL6987666

SCHEMBL6987666

Cc1ccc(C(=O)c2cccnc2C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
KDM4E B2RXH2 5/20 0.61
MAPT P10636 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
CYP3A4 P08684 1/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
BLM P54132 1/20 0.61
AGER Q15109 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
AKR1C3 P42330 1/20 0.60
COMT P21964 1/20 0.54
SRD5A2 P31213 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MYC P01106 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL7367595 0.88 KDM4E (0.67) ALDH1A1KDM4EMAPTNPSR1CYP3A4
SCHEMBL7362610 0.87 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTNPSR1CYP3A4
SCHEMBL296670 0.86 KDM4E (0.69) ALDH1A1KDM4EMAPTNPSR1CYP3A4
Hydrochloric Acid SCHEMBL7853761 0.85 KDM4E (0.67) ALDH1A1KDM4EMAPTNPSR1CYP3A4
SCHEMBL2212405 0.84 KDM4E (0.61) ALDH1A1KDM4EMAPTNPSR1CYP3A4
SCHEMBL7529815 0.84 KDM4E (0.61) ALDH1A1KDM4EMAPTNPSR1CYP3A4
SCHEMBL7364079 0.84 KDM4E (0.61) ALDH1A1KDM4EMAPTNPSR1CYP3A4
Oxalic Acid SCHEMBL31550428 0.83 KDM4E (0.65) ALDH1A1KDM4EMAPTNPSR1CYP3A4
SCHEMBL7361369 0.83 KDM4E (0.56) ALDH1A1KDM4EMAPTNPSR1CYP3A4
SCHEMBL11243785 0.83 MAPT (0.56) ALDH1A1KDM4EMAPTNPSR1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733632-B1 Cyclic compounds, their production and use as tachykinin receptor antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-06-04 EP disclosed
US-6489315-B1 NOVEL CYCLIC COMPOUNDS HAVING AN EXCELLENT TACHYKININ RECEPTOR ANTAGONISTIC EFFECT, AND A METHOD FOR PRODUCING THEM, FOR TREATING DISORDERS OF INCONTINENCE, ASTHMA, MIGRAINE, IRRITABLE BOWEL SYNDROME, PAIN, COUGH OR EMESIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-03 US disclosed
US-20020132817-A1 Heterocyclic compounds, their production and use NATSUGARI HIDEAKI (JP) 2002-09-19 US disclosed
EP-1184036-A2 Heterocyclic compounds, their production and use as tachykinin receptor antagonists Takeda Chemical Industries, Ltd. (JP) 2002-03-06 EP disclosed
EP-1145714-A1 DRUGS Takeda Chemical Industries, Ltd. (JP) 2001-10-17 EP disclosed
EP-0652218-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-07-11 EP disclosed
CN-1291099-A Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-04-11 CN disclosed
EP-1061926-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE AS TACHYKININ RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2000-12-27 EP disclosed
US-6147071-A TACHYKININ RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-11-14 US disclosed
CN-1052004-C Heterocyclic compounds, their production and use TALCEDA CHEMICAL IND LTD (JP) 2000-05-03 CN disclosed
US-5770590-A EXCELLENT TACHYKININ RECEPTOR ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-06-23 US disclosed
EP-0825187-A1 Condensed pyridazinyl guanidines, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-25 EP disclosed
US-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US disclosed
CN-1140172-A Cyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-01-15 CN disclosed
US-5585385-A USEFUL IN TREATING DISORDERS OF MICTURITION; ADMINISTERING TO INHIBIT PLASMA EXTRAVASATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-17 US disclosed
EP-0733632-A1 Cyclic compounds, their production and use as tachykinin receptor antagonists Takeda Chemical Industries, Ltd. (JP) 1996-09-25 EP disclosed
CN-1107476-A Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-08-30 CN disclosed
EP-0652218-A1 Heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1995-05-10 EP disclosed
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO 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 (1 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-20020132817-A1 Heterocyclic compounds, their production and use CRH, CRHR1, CRHR2 ALDH1A1 4111/4885KDM4E 2384/4885MAPT 3140/4885

“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.