SCHEMBL2997222

SCHEMBL2997222

CCOC(=O)c1cc2nc(O)cnc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 1/20 0.45
NPC1 O15118 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
ALOX15 P16050 1/20 0.43
MMP13 P45452 7/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MMP2 P08253 5/20 0.41

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
SCHEMBL3008497 0.85 RAB9A (0.44) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL30489160 0.81 FGFR1 (0.48) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL18322257 0.80 KDM4E (0.46) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL30489216 0.80 KDM4E (0.46) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL24201478 0.79 KDM4E (0.49) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2996282 0.77 DAO (0.45) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL5218804 0.77 KDM4E (0.57) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1313379 0.75 KDM4E (0.48) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5218433 0.75 KDM4E (0.51) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL833789 0.75 KDM4E (0.48) RAB9AKDM4EALDH1A1HPGDSMN1; 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 RAB9A 3562/4885KDM4E 2243/4885ALDH1A1 1229/4885

“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.