SCHEMBL3006971

SCHEMBL3006971

Cc1nc(NC(=O)C(=O)c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)sc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
ALOX12 P18054 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 4/20 0.42
POLB P06746 1/20 0.42
GRM4 Q14833 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
THRB P10828 1/20 0.40
FAAH O00519 1/20 0.40
TP53 P04637 2/20 0.39

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
SCHEMBL4095674 0.93 LMNA (0.43) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3000056 0.90 FAAH (0.50) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3000652 0.88 FAAH (0.48) ALDH1A1SMN1; SMN2RAB9APOLBFAAH
SCHEMBL2995765 0.88 PLA2G2A (0.46) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4093527 0.83 FAAH (0.42) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3004676 0.82 TUBB4A (0.49) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2995015 0.81 RAB9A (0.46) ALDH1A1MAPTSMN1; SMN2RAB9APOLB
SCHEMBL4087929 0.81 PLA2G2A (0.42) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3007491 0.79 FAAH (0.62) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4088809 0.78 LMNA (0.47) LMNACYP1A2CYP3A4CYP2C9ALDH1A1

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
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
US-8884020-B2 Indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2014-11-11 US disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP disclosed
CN-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090118503-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. 2009-05-07 US disclosed
EP-2049520-A2 INDOLE COMPOUNDS Ironwood Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008019357-A2 INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. (US) 2008-02-14 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 (2 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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 LMNA 3450/4885CYP1A2 287/4885CYP3A4 374/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 LMNA 4089/4885CYP1A2 302/4885CYP3A4 544/4885

“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.