SCHEMBL2478712

SCHEMBL2478712

Oc1ccc(-c2csc3c(NCCCN4CCCC4)ncnc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ HTT P42858 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ ESR1 P03372 2/20 0.38
▸ ESR2 Q92731 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ACP1 P24666 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36

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
SCHEMBL15214860 0.90 LMNA (0.52) LMNASMN1; SMN2HTTALDH1A1MEN1
SCHEMBL10359775 0.88 LMNA (0.46) LMNASMN1; SMN2HTTALDH1A1MEN1
SCHEMBL10176265 0.87 LMNA (0.45) LMNASMN1; SMN2HTTALDH1A1MEN1
SCHEMBL2475963 0.80 EGFR (0.41) LMNASMN1; SMN2HTTALDH1A1MEN1
SCHEMBL2477392 0.73 MAPK1 (0.41) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL30092872 0.72 PDE4A (0.50) LMNASMN1; SMN2HTTALDH1A1ACP1
SCHEMBL2473849 0.68 KMT2A (0.50) LMNAALDH1A1MEN1KMT2ACYP1A2
SCHEMBL13019095 0.66 PIK3CG (0.58) LMNASMN1; SMN2HTTALDH1A1MEN1
SCHEMBL3930470 0.66 FLT1 (0.52) LMNASMN1; SMN2ALDH1A1USP2TSHR
SCHEMBL16377509 0.65 ALDH1A1 (0.45) LMNAHTTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373163-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-06-10 — — EP disclosed
EP-2373163-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-06-10 — — EP disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 — — US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 — — US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 — — US disclosed
EP-2373163-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-10-12 — — EP disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 — — US disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 — — US disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 — — US disclosed
WO-2010080503-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 — — WO disclosed
WO-2010080503-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 — — 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-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BCL2A1, BAX, BCL2 LMNA 97/4885SMN1; SMN2 981/4885HTT 2623/4885

“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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