SCHEMBL2998499

SCHEMBL2998499

O=C(Nc1ccncc1)C(=O)c1c(C(F)(F)F)n(Cc2ccc(Cl)cc2Cl)c2ccc(O)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
FAAH O00519 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39
TUBA1C Q9BQE3 1/20 0.39
TUBB6 Q9BUF5 1/20 0.39
TUBB2B Q9BVA1 1/20 0.39
TUBB1 Q9H4B7 1/20 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
SCHEMBL3008471 0.95 TYK2 (0.42) JAK2JAK1TYK2FAAHTUBB4A
SCHEMBL3001593 0.93 L3MBTL1 (0.41) FAAHL3MBTL1EPHX2MEN1KMT2A
SCHEMBL3009423 0.91 MEN1 (0.46) L3MBTL1EPHX2MEN1KMT2ALMNA
SCHEMBL3000300 0.91 FAAH (0.43) FAAHL3MBTL1EPHX2MEN1KMT2A
SCHEMBL3004382 0.91 FAAH (0.49) JAK2JAK1TYK2FAAHTUBB4A
SCHEMBL3001646 0.90 MEN1 (0.42) L3MBTL1EPHX2MEN1KMT2APDE4A
SCHEMBL3000883 0.90 TUBB4A (0.48) JAK2JAK1TYK2TUBB4ATUBB
SCHEMBL4098720 0.89 FAAH (0.49) FAAHTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4088941 0.89 FAAH (0.45) JAK2FAAHL3MBTL1EPHX2MEN1
SCHEMBL4098737 0.89 L3MBTL1 (0.41) FAAHL3MBTL1EPHX2MEN1KMT2A

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 5 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
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-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 JAK2 461/4885JAK1 3006/4885TYK2 1540/4885
US-20090118503-A1 FAAH INHIBITORS FAAH, FAAH2, CNR2 JAK2 2150/4885JAK1 4256/4885TYK2 3065/4885

“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.