SCHEMBL3005183

SCHEMBL3005183

CCOC(=O)c1cc2c(F)ncnc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 4/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MMP13 P45452 4/20 0.41
MMP2 P08253 3/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.41
JAK2 O60674 6/20 0.41
JAK3 P52333 6/20 0.41
ALOX15 P16050 1/20 0.40
HTT P42858 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
SCHEMBL2199156 0.84 KDM4E (0.43) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL2199469 0.83 ALOX15 (0.46) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL2997835 0.77 DAO (0.45) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL1895333 0.75 BRD4 (0.45) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL23170170 0.75 RAB9A (0.45) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL17126117 0.74 NUDT1 (0.48) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL3603471 0.74 NUDT1 (0.48) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL30731078 0.74 NUDT1 (0.48) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL1890715 0.74 FLT3 (0.58) MAPTKMT2AMEN1
SCHEMBL3195922 0.73 NUDT1 (0.47) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2

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 3 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

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-20100197708-A1 INDOLE COMPOUNDS IDO1, IDO2, TPH2 KDM4E 2243/4885ALDH1A1 1229/4885RAB9A 3562/4885

“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.