SCHEMBL3036505

SCHEMBL3036505

Cc1ccc(OC2CCCCO2)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 5/20 0.41
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
RECQL P46063 1/20 0.40
MCOLN3 Q8TDD5 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
HSD11B1 P28845 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
MAPK1 P28482 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL20240595 0.90 NPC1 (0.44) KMT2ANPC1RAB9AALDH1A1TSHR
SCHEMBL3037513 0.85 KMT2A (0.40) KMT2AALDH1A1MAPTMAPK1
SCHEMBL10924129 0.85 MAPK1 (0.41) KMT2ANPC1RAB9AALDH1A1TSHR
SCHEMBL29793554 0.85 WNK1 (0.39) KMT2AALDH1A1GAAMAPTHSD11B1
SCHEMBL5346439 0.82 ATM (0.42) KMT2AALDH1A1CYP3A4MAPTTDP1
SCHEMBL29793698 0.82 WNK1 (0.41) KMT2AALDH1A1MAPTHSD11B1TP53
SCHEMBL16782293 0.82 MAPT (0.41) KMT2AALDH1A1MAPTHSD11B1
SCHEMBL30143533 0.82 KMT2A (0.41) KMT2ANPC1RAB9AALDH1A1
SCHEMBL17978448 0.81 ALDH1A1 (0.50) KMT2ANPC1RAB9AALDH1A1TSHR
SCHEMBL20520337 0.80 HPGD (0.39) KMT2AALDH1A1CYP3A4MAPTHSD11B1

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
CN-115536571-B Preparation method of indole derivative 上海裕兰生物科技有限公司 2024-03-29 CN disclosed
CN-115536571-A Preparation method of indole derivative 上海裕兰生物科技有限公司 2022-12-30 CN disclosed
US-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC (JP) 2010-08-26 US disclosed
EP-1910369-A1 FUSED HETEROCYCLES AS LCK INHIBITORS Astellas Pharma Inc. (JP) 2008-04-16 EP disclosed
WO-2007013673-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-02-01 WO 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-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS LCK, ZAP70, FYN KMT2A 547/4885NPC1 4572/4885RAB9A 2293/4885

“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.