SCHEMBL5570673

SCHEMBL5570673

COC(=O)C(Cc1ccncc1)Cc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP19A1 P11511 2/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 2/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
NPY5R Q15761 1/20 0.40
FOLH1 Q04609 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
SCHEMBL27224676 0.91 EPHX2 (0.44) CYP3A4ALDH1A1CYP19A1ESR1ESR2
SCHEMBL23792317 0.90 CYP3A4 (0.41) CYP3A4ALDH1A1CYP19A1ESR1ESR2
SCHEMBL20126694 0.84 ALDH1A1 (0.55) CYP3A4ALDH1A1CYP19A1ESR1ESR2
SCHEMBL6640643 0.84 CPB2 (0.46) ALDH1A1CYP19A1KMT2AMAPT
SCHEMBL19699287 0.82 ALDH1A1 (0.47) CYP3A4ALDH1A1CYP19A1ESR1ESR2
SCHEMBL5401318 0.82 ALDH1A1 (0.47) CYP3A4ALDH1A1CYP19A1ESR1ESR2
SCHEMBL2059222 0.82 ALDH1A1 (0.47) CYP3A4ALDH1A1CYP19A1ESR1ESR2
Hydrochloric Acid SCHEMBL2106188 0.81 ALDH1A1 (0.49) CYP3A4ALDH1A1CYP19A1ESR1ESR2
SCHEMBL15180402 0.81 ATM (0.46) CYP3A4ALDH1A1CYP19A1ESR1ESR2
Hydrochloric Acid SCHEMBL5494194 0.81 ALDH1A1 (0.49) CYP3A4ALDH1A1CYP19A1ESR1ESR2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1057815-B1 CYCLIC AMIDE COMPOUNDS KOWA CO (JP) 2007-09-05 EP disclosed
EP-0757685-B1 NOVEL ACYCLIC AND CYCLIC AMIDES AS NEUROTRANSMITTER RELEASE ENHANCERS PFIZER (US) 2004-07-21 EP disclosed
US-6645957-B2 Useful in preventing and treating allergic immunological diseases; treating asthma, atopic dermatitis, allergic rhinitis, inflammatory large bowel disease, contact dermatitis KOWA CO., LTD. (JP) 2003-11-11 US disclosed
US-20030096828-A1 Cyclic amide compound KOWA CO., LTD. (JP) 2003-05-22 US disclosed
US-6448242-B1 COMPOUND HAVING A STRONG INHIBITORY EFFECT ON THE PRODUCTION OF AN IGE ANTIBODY; ANTIALLERGENS KOWA CO., LTD. (JP) 2002-09-10 US disclosed
EP-1057815-A1 CYCLIC AMIDE COMPOUNDS Kowa Co., Ltd. (JP) 2000-12-06 EP disclosed
US-5854232-A Acyclic anc cyclic amides as neurotransmitter release enhancers PFIZER INC. (US) 1998-12-29 US disclosed
EP-0757685-A1 NOVEL ACYCLIC AND CYCLIC AMIDES AS NEUROTRANSMITTER RELEASE ENHANCERS PFIZER INC. (US) 1997-02-12 EP disclosed
WO-1995029909-A1 NOVEL ACYCLIC AND CYCLIC AMIDES AS NEUROTRANSMITTER RELEASE ENHANCERS PFIZER INC. (US) 1995-11-09 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-20030096828-A1 Cyclic amide compound CMA1, HRH2, HRH4 CYP3A4 1130/4885ALDH1A1 2028/4885CYP19A1 172/4885

“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.