SCHEMBL6115028

SCHEMBL6115028

O=C(O)Cn1nc(Cc2cccc3ccccc23)c2ccccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 6/20 1.00
▸ TSHR P16473 1/20 0.69
▸ ALOX15 P16050 2/20 0.63
▸ LMNA P02545 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MAPT P10636 1/20 0.51
▸ AKR1B1 P15121 2/20 0.51
▸ S1PR2 O95136 1/20 0.48
▸ RAB9A P51151 1/20 0.48

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
SCHEMBL6115916 0.90 CMA1 (0.81) CMA1TSHRALOX15LMNAHPGD
SCHEMBL7963507 0.85 CMA1 (0.73) CMA1TSHRALOX15LMNAHPGD
SCHEMBL18900851 0.84 CMA1 (0.72) CMA1TSHRALOX15LMNAHPGD
SCHEMBL7960273 0.80 CMA1 (0.66) CMA1TSHRLMNAHPGDMAPT
SCHEMBL9327258 0.79 MAPT (0.78) CMA1TSHRALOX15MAPTAKR1B1
SCHEMBL7960283 0.79 CMA1 (0.65) CMA1TSHRALOX15CYP1A2CYP3A4
SCHEMBL7951727 0.78 CMA1 (1.00) CMA1TSHRALOX15CYP1A2CYP3A4
SCHEMBL7960570 0.78 CMA1 (1.00) CMA1TSHR
SCHEMBL24076967 0.77 ALOX15 (1.00) CMA1TSHRALOX15LMNACYP1A2
SCHEMBL6115031 0.76 CMA1 (0.61) CMA1TSHRLMNAHPGDCYP1A2

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-2323991-B1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-05-31 — — EP disclosed
EP-2323991-B1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-05-31 — — EP disclosed
US-8969348-B2 Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-03-03 — — US disclosed
US-8969348-B2 Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-03-03 — — US disclosed
US-8969348-B2 Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-03-03 — — US disclosed
US-20120129863-A1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 — — US disclosed
US-20120129863-A1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 — — US disclosed
US-20120129863-A1 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 — — US disclosed
WO-2010019417-A2 CHYMASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 — — 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-20120129863-A1 CHYMASE INHIBITORS CMA1, CPA3, SERPINB1 CMA1 1/4885TSHR 4225/4885ALOX15 1709/4885

“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.

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