SCHEMBL17600352

SCHEMBL17600352

CCOC(=O)[C@@H]1Cc2cccc([N+](=O)[O-])c2N1C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
FKBP1A P62942 1/20 0.43
NR1D1 P20393 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 3/20 0.41
VCAM1 P19320 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
CTSB P07858 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 2/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 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
SCHEMBL16115047 1.00 MAPT (0.43) MAPTFKBP1ANR1D1KMT2AKDM4E
SCHEMBL2824164 0.75 NOTUM (0.56) NR1D1KDM4EALDH1A1TP53
SCHEMBL2824161 0.75 NOTUM (0.56) NR1D1KDM4EALDH1A1TP53
SCHEMBL17600397 0.75 MAPT (0.47) MAPTFKBP1AKMT2AKDM4EALDH1A1
SCHEMBL16114904 0.75 MAPT (0.47) MAPTFKBP1AKMT2AKDM4EALDH1A1
SCHEMBL1769827 0.71 NR1D1 (0.42) MAPTNR1D1KMT2AKDM4EALDH1A1
SCHEMBL17614902 0.71 MAPT (0.45) MAPTFKBP1AKMT2AKDM4EALDH1A1
SCHEMBL10424610 0.69 NR1D1 (0.47) MAPTNR1D1KMT2AKDM4EALDH1A1
SCHEMBL10743464 0.68 DRD2 (0.49) NR1D1KDM4EALDH1A1TP53
SCHEMBL10742367 0.68 DRD2 (0.49) NR1D1KDM4EALDH1A1TP53

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329324-B2 Indoline compounds as granzyme B inhibitors viDA Therapeutics (CA) 2019-06-25 US disclosed
US-20180057528-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2018-03-01 US disclosed
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-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

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-20180057528-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, PRF1, CTSB MAPT 3993/4885FKBP1A 2967/4885NR1D1 4843/4885
US-10329324-B2 Indoline compounds as granzyme B inhibitors GZMB, PRF1, CTSB MAPT 3993/4885FKBP1A 2967/4885NR1D1 4843/4885
US-20160083422-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, PRF1, CTSB MAPT 3993/4885FKBP1A 2967/4885NR1D1 4843/4885

“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.