SCHEMBL17600402

SCHEMBL17600402

Nc1ccc2c(c1)N[C@H](C(=O)O)C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
GAA P10253 2/20 0.62
CA9 Q16790 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
THRB P10828 2/20 0.34
RECQL P46063 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
APEX1 P27695 1/20 0.34
BLM P54132 1/20 0.34
MCL1 Q07820 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TNF P01375 1/20 0.34
CYP3A4 P08684 1/20 0.34
HSPD1 P10809 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL27579143 0.88 GAA (0.60) MAPTGAAALDH1A1HPGDHSD17B10
SCHEMBL7432280 0.85 MAPT (0.44) MAPTGAACA9MEN1KMT2A
SCHEMBL10855641 0.81 GAA (0.44) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL17413603 0.81 GAA (0.64) MAPTGAATHRB
SCHEMBL27930597 0.79 GAA (0.62) MAPTGAA
SCHEMBL19066011 0.79 GAA (0.62) MAPTGAA
SCHEMBL4999499 0.79 GAA (0.62) MAPTGAAKDM4EALDH1A1
SCHEMBL27732139 0.79 GAA (0.62) MAPTGAAMEN1KMT2ATDP1
SCHEMBL16140165 0.77 TNF (0.41) MAPTGAAMEN1KMT2AKDM4E
SCHEMBL31370222 0.77 EGLN1 (0.44) MAPTGAAMEN1KMT2A

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 4 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-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 3993/4885GAA 141/4885CA9 1217/4885
US-10329324-B2 Indoline compounds as granzyme B inhibitors GZMB, PRF1, CTSB MAPT 3993/4885GAA 141/4885CA9 1217/4885
US-20160083422-A1 INDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, PRF1, CTSB MAPT 3993/4885GAA 141/4885CA9 1217/4885

“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.