SCHEMBL17614902

SCHEMBL17614902

CCOC(=O)[C@@H]1Cc2cccc([N+](=O)[O-])c2N1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
KMT2A Q03164 2/20 0.44
CTSB P07858 1/20 0.41
CACNA1C Q13936 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
PKM P14618 1/20 0.39
FKBP1A P62942 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
SCHEMBL18671263 0.83 NR4A1 (0.37) MAPTKMT2ACACNA1CSMN1; SMN2HTT
SCHEMBL13221820 0.83 MAPT (0.40) MAPTKMT2ACTSBSMN1; SMN2TP53
SCHEMBL13360119 0.81 MAPT (0.39) MAPTKMT2ACTSBSMN1; SMN2TP53
SCHEMBL27693530 0.81 MAPT (0.45) MAPTKMT2ACTSBCACNA1CSMN1; SMN2
SCHEMBL27478711 0.80 MAPT (0.50) MAPTKMT2ASMN1; SMN2HTTMEN1
SCHEMBL17600470 0.80 MAPT (0.50) MAPTKMT2ASMN1; SMN2HTTMEN1
SCHEMBL13531750 0.80 MAPT (0.40) MAPTKMT2ASMN1; SMN2TP53HTT
SCHEMBL16116154 0.80 MAPT (0.42) MAPTKMT2ACTSBSMN1; SMN2TP53
SCHEMBL27497241 0.79 VCAM1 (0.45) MAPTKMT2ACTSBCACNA1CTP53
SCHEMBL27498587 0.76 VCAM1 (0.45) MAPTKMT2ACTSBSMN1; SMN2TP53

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-20180057528-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2018-03-01 US disclosed
US-9605021-B2 Indoline compounds as granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2017-03-28 US disclosed
US-9605021-B2 Indoline compounds as granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2017-03-28 US disclosed
US-20160083422-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2016-03-24 US disclosed
US-20160083422-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2016-03-24 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-20180057528-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, PRF1, CTSB MAPT 3993/4885KMT2A 4299/4885CTSB 3/4885
US-20160083422-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, PRF1, CTSB MAPT 3993/4885KMT2A 4299/4885CTSB 3/4885

“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.