SCHEMBL5788398

SCHEMBL5788398

Cc1cc(C)c(-c2cnn3c(=O)cc(C)[nH]c23)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PLAT P00750 8/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ PKM P14618 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL15308503 0.79 ALDH1A1 (0.34) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL5787815 0.75 NPY1R (0.35) PLATKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL16629031 0.73 ALDH1A1 (0.33) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL20971707 0.71 ALDH1A1 (0.31) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL19863964 0.71 ALDH1A1 (0.31) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL16946611 0.70 PLAT (0.56) PLATKDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL15308601 0.70 PLAT (0.47) PLATKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL16077836 0.70 PLAT (0.47) PLATKDM4EALDH1A1HPGDPOLB
SCHEMBL31624208 0.67 PLAT (0.49) PLATKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL16535098 0.65 EGLN2 (0.40) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923582-B1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES PFIZER (US) 2006-09-20 — — EP disclosed
US-6900217-B2 Substituted 6,5-hetero-bicyclic derivatives PFIZER INC (US) 2005-05-31 — — US disclosed
US-20050009823-A1 Substituted 6,5-hetero-bicyclic derivatives PFIZER INC 2005-01-13 — — US disclosed
US-20020151713-A1 Substituted 6,5-hetero-bicyclic derivatives PFIZER INC. 2002-10-17 — — US disclosed
US-20010007867-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES CHEN YUHPYNG L (US) 2001-07-12 — — US disclosed
EP-0923582-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1999-06-23 — — EP disclosed
WO-1998008847-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES PFIZER INC. (US) 1998-03-05 — — 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 (3 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-20050009823-A1 Substituted 6,5-hetero-bicyclic derivatives CYP2D6, CYP2B6, ABCG2 PLAT 3310/4885KDM4E 895/4885PKM 1474/4885
US-20020151713-A1 Substituted 6,5-hetero-bicyclic derivatives CYP2D6, CYP2B6, CYP3A5 PLAT 3796/4885KDM4E 541/4885PKM 1379/4885
US-20010007867-A1 SUBSTITUTED 6,5-HETERO-BICYCLIC DERIVATIVES CYP2D6, CYP2B6, CYP3A5 PLAT 4237/4885KDM4E 836/4885PKM 1679/4885

“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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