SCHEMBL418947

SCHEMBL418947

Nc1ncc2c(n1)CCCC2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
GRM5 P41594 6/20 0.49
MAOB P27338 3/20 0.49
MAOA P21397 2/20 0.49
TSHR P16473 2/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA9 Q16790 1/20 0.48
USP2 O75604 1/20 0.48
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL29649329 1.00 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL14172818 0.96 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL18652499 0.78 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL7908025 0.78 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL13482119 0.74 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL1395348 0.74 TSHR (0.44) ALDH1A1MAPTTP53TSHRUSP2
SCHEMBL10220388 0.74 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL18237732 0.74 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL8327019 0.74 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL1395351 0.74 TSHR (0.44) ALDH1A1MAPTTP53TSHRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583858-B2 TDO2 inhibitors GENENTECH, INC. (US) 2026-03-24 US disclosed
EP-3394068-B1 TDO2 INHIBITORS GENENTECH INC (US) 2024-09-11 EP disclosed
CN-115010712-A TDO2 inhibitors 基因泰克公司 2022-09-06 CN disclosed
CN-110072864-B TDO2 inhibitors 基因泰克公司 2022-05-27 CN disclosed
US-10800780-B2 TDO2 Inhibitors GENENTECH, INC. (US) 2020-10-13 US disclosed
CN-108484606-B Pyrimido [4,5-f ] quinazoline compound and application thereof 江南大学 2020-03-06 CN disclosed
US-20190016726-A1 TDO2 Inhibitors PHARMARON BEIJING CO. LTD. (CN) 2019-01-17 US disclosed
EP-2408762-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI (FR) 2012-01-25 EP disclosed
WO-2011027081-A2 NOVEL DERIVATIVES OF 5,6,7,8-TETRAHYDROINDOLIZINE INHIBITING HSP90, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2011-03-10 WO disclosed
WO-2011004132-A1 NOVEL HSP90-INHIBITING INDOLE DERIVATIVES, COMPOSITIONS CONTAINING SAID DERIVATIVES, AND USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 WO disclosed
WO-2010106290-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2010-09-23 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 (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-12583858-B2 TDO2 inhibitors TDO2, IDO2, TPH2 ALDH1A1 1758/4885SMN1; SMN2 4338/4885MAPT 4010/4885
US-20190016726-A1 TDO2 Inhibitors TDO2, IDO2, IDO1 ALDH1A1 2096/4885SMN1; SMN2 4620/4885MAPT 3106/4885
US-10800780-B2 TDO2 Inhibitors TDO2, IDO2, IDO1 ALDH1A1 2096/4885SMN1; SMN2 4620/4885MAPT 3106/4885

“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.