SCHEMBL10176265

SCHEMBL10176265

CC(C)(C)c1ccc(-c2csc3c(NCCCN4CCCC4)ncnc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 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
▸ HRH3 Q9Y5N1 2/20 0.41
▸ HTT P42858 4/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.38
▸ RECQL P46063 1/20 0.38
▸ NCOA1 Q15788 1/20 0.38
▸ NCOA3 Q9Y6Q9 1/20 0.38

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 0.89 LMNA (0.52) LMNASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL10359775 0.87 LMNA (0.46) LMNASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL2478712 0.87 LMNA (0.47) LMNASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL2475963 0.78 EGFR (0.41) LMNASMN1; SMN2MEN1KMT2AHRH3
SCHEMBL30092872 0.69 PDE4A (0.50) LMNASMN1; SMN2HRH3HTTALDH1A1
SCHEMBL3930470 0.64 FLT1 (0.52) LMNASMN1; SMN2HRH3ALDH1A1MAPT
SCHEMBL11988202 0.64 MKNK1 (0.49) LMNASMN1; SMN2HRH3HTTSIGMAR1
SCHEMBL16928170 0.63 SIGMAR1 (0.43) LMNASMN1; SMN2HRH3HTTSIGMAR1
SCHEMBL15317657 0.63 ALDH1A1 (0.89) LMNASMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL22714899 0.63 KDM4E (0.50) LMNACYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 — — US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 — — 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
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 — — US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 — — US 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-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX LMNA 316/4885SMN1; SMN2 1830/4885MEN1 2968/4885

“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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