SCHEMBL3945544

SCHEMBL3945544

OB(O)c1cnc(N2CCCCC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
MAPK1 P28482 1/20 0.36
USP2 O75604 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
ACACB O00763 2/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL3946301 0.98 ALDH1A1 (0.41) POLBSMN1; SMN2ALDH1A1TSHRHDAC6
SCHEMBL18007187 0.94 ALDH1A1 (0.38) POLBSMN1; SMN2ALDH1A1TSHRHDAC6
SCHEMBL20606549 0.83 HRH4 (0.42) ALDH1A1TSHRHDAC6MAPK1USP2
SCHEMBL16792009 0.81 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1TSHRHDAC6USP2
SCHEMBL15330361 0.81 HTR3A (0.46) ALDH1A1TSHRHDAC6MAPK1USP2
SCHEMBL5525017 0.81 POLB (0.57) POLBALDH1A1TSHRHDAC6MAPK1
SCHEMBL16793545 0.81 PTPN11 (0.38) POLBALDH1A1
SCHEMBL18150782 0.79 SMO (0.40) POLBCYP2C19MAPT
SCHEMBL2561983 0.79 AOC3 (0.35) SMN1; SMN2USP2MEN1CYP2C19KMT2A
SCHEMBL17202032 0.78 TRPV3 (0.40) POLBSMN1; SMN2TSHRMEN1CYP3A4

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3134410-B1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL LILLY CO ELI (US) 2021-03-10 EP disclosed
US-10117948-B2 Selective arylation of dichalcogenides in biomolecules MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-11-06 US disclosed
US-9873702-B2 Heterocyclic compounds as biogenic amine transport modulators SOUTHERN RESEARCH INSTITUTE (US) 2018-01-23 US disclosed
EP-3226867-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS Ananthan, Subramaniam (US) 2017-10-11 EP disclosed
US-20160367693-A1 Selective Arylation of Dichalcogenides in Biomolecules NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-12-22 US disclosed
WO-2016205798-A1 SELECTIVE ARYLATION OF DICHALCOGENIDES IN BIOMOLECULES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-12-22 WO disclosed
US-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SOUTHERN RESEARCH INSTITUTE 2016-06-09 US disclosed
WO-2016090296-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS ANANTHAN SUBRAMANIAM (US) 2016-06-09 WO disclosed
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 EP 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 (4 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-10117948-B2 Selective arylation of dichalcogenides in biomolecules SCLY, SELENOI, PTMS POLB 4297/4885SMN1; SMN2 3613/4885ALDH1A1 3379/4885
US-20160367693-A1 Selective Arylation of Dichalcogenides in Biomolecules SCLY, SELENOI, TPO POLB 3485/4885SMN1; SMN2 2974/4885ALDH1A1 3721/4885
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 POLB 4104/4885SMN1; SMN2 3258/4885ALDH1A1 1143/4885
US-20160159809-A1 HETEROCYCLIC COMPOUNDS AS BIOGENIC AMINE TRANSPORT MODULATORS SLC18A2, SLC6A2, SLC6A3 POLB 2322/4885SMN1; SMN2 1029/4885ALDH1A1 1123/4885

“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.