SCHEMBL3000071

SCHEMBL3000071

COc1ccc2c(c1)c(C(=O)C(=O)Nc1nc3ccccc3s1)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.51
MAPT P10636 5/20 0.50
POLB P06746 2/20 0.50
NPC1 O15118 4/20 0.49
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49
TUBB2B Q9BVA1 1/20 0.49
TUBB1 Q9H4B7 1/20 0.49
KLF5 Q13887 1/20 0.49

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
SCHEMBL4378501 0.92 FAAH (0.47) CSNK1DMAPTPOLBNPC1TUBB4A
SCHEMBL6086156 0.87 TUBB4A (0.63) CSNK1DMAPTPOLBTUBB4ATUBB
SCHEMBL3001803 0.86 TUBB4A (0.47) CSNK1DMAPTPOLBTUBB4ATUBB
SCHEMBL3011822 0.83 PLA2G2A (0.54) CSNK1DMAPTPOLBNPC1KLF5
SCHEMBL3008556 0.82 AHR (0.52) MAPTPOLBNPC1TUBB4ATUBB
SCHEMBL2992919 0.82 TUBB4A (0.49) CSNK1DMAPTTUBB4ATUBBTUBA3C
SCHEMBL3005134 0.81 TUBB4A (0.55) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3009517 0.80 TUBB4A (0.55) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3008415 0.79 TUBB4A (0.71) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3010224 0.79 LMNA (0.48) MAPTTUBB4ATUBBTUBA3CTUBA1B

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 4 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
EP-2610244-A1 Indole compounds Ironwood Pharmaceuticals, Inc. (US) 2013-07-03 EP 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

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 CSNK1D 2334/4885MAPT 997/4885POLB 4404/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 CSNK1D 2531/4885MAPT 2737/4885POLB 4121/4885

“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.