SCHEMBL2008504

SCHEMBL2008504

O=C(O)Cc1cn(Cc2ccccc2O)c2cccc(C(=O)O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.50
MCL1 Q07820 8/20 0.49
BAD Q92934 8/20 0.49
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
PLA2G2A P14555 1/20 0.42
CHRM1 P11229 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
HMGB1 P09429 1/20 0.38
HPGD P15428 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA9 Q16790 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
CA14 Q9ULX7 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
SCHEMBL2001314 0.90 AKR1B1 (0.56) AKR1B1MCL1BADALDH1A1LMNA
SCHEMBL2006652 0.82 LMNA (0.48) MCL1BADALDH1A1LMNAPLA2G2A
SCHEMBL2003989 0.81 LMNA (0.52) MCL1BADALDH1A1LMNAPLA2G2A
SCHEMBL2006388 0.80 AKR1B1 (0.50) AKR1B1MCL1BADALDH1A1LMNA
SCHEMBL2005309 0.79 ALDH1A1 (0.58) AKR1B1MCL1ALDH1A1LMNAPLA2G2A
SCHEMBL2010075 0.77 AKR1B1 (0.49) AKR1B1ALDH1A1LMNAPLA2G2AKDM4E
SCHEMBL2004339 0.77 SLC22A12 (0.53) AKR1B1MCL1ALDH1A1LMNAPLA2G2A
SCHEMBL2006559 0.75 PLA2G2A (0.54) AKR1B1PLA2G2A
Salicylic Acid SCHEMBL8092425 0.74 AKR1B1 (0.77) AKR1B1ALDH1A1LMNAKDM4ECA12
SCHEMBL2007475 0.74 ALDH1A1 (0.50) AKR1B1MCL1ALDH1A1LMNAPLA2G2A

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 17 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-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-7960544-B2 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-14 US 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-20100197708-A1 INDOLE COMPOUNDS WELLS FARGO BANK, NATIONAL ASSOCIATION 2010-08-05 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264653-A1 USEFUL INDOLE COMPOUNDS IRONWOOD PHARMACEUTICALS, INC. 2009-10-22 US disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN disclosed
US-20070203209-A1 Useful indole compounds IRONWOOD PHARMACEUTICALS, INC. 2007-08-30 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 (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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 AKR1B1 1157/4885MCL1 2587/4885BAD 195/4885
US-20070203209-A1 Useful indole compounds TPH2, HRH2, HRH1 AKR1B1 1466/4885MCL1 4474/4885BAD 1418/4885
US-20090264653-A1 USEFUL INDOLE COMPOUNDS FAAH, FAAH2, AANAT AKR1B1 696/4885MCL1 2326/4885BAD 1518/4885

“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.