SCHEMBL23657866

SCHEMBL23657866

O=C(NCCC1=CCCCC1)c1[nH]nc2c1CCCC2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.54
▸ SMN1; SMN2 Q16637 8/20 0.53
▸ NPC1 O15118 7/20 0.53
▸ ALDH1A1 P00352 6/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HTT P42858 2/20 0.53
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ ALOX15 P16050 3/20 0.51
▸ MAPK1 P28482 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPT P10636 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL10405014 0.72 MAPT (0.40) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL7783342 0.72 EPHX1 (0.73) RAB9ASMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL14430745 0.71 KMT2A (0.53) SMN1; SMN2ALDH1A1LMNAALOX15TSHR
SCHEMBL12717314 0.70 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL8674157 0.70 TAAR1 (0.61) RAB9ASMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL16629830 0.70 BRD4 (0.42) RAB9ASMN1; SMN2NPC1ALDH1A1TSHR
SCHEMBL17927741 0.70 HCAR2 (0.39) RAB9ASMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL6569873 0.69 RAB9A (0.78) RAB9ASMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL15695713 0.68 ALDH1A1 (0.67) RAB9ASMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL29650441 0.68 RAB9A (0.70) RAB9ASMN1; SMN2NPC1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE EDIGENE BIOTECHNOLOGY, INC. (CN) 2021-07-22 — — 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 (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-20210220408-A1 ARYL HYDROCARBON RECEPTOR ANTAGONISTS AND METHODS OF USE AHR, ARNT, ARSA RAB9A 4056/4885SMN1; SMN2 3198/4885NPC1 1022/4885

“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.

Send feedback