SCHEMBL3395754

SCHEMBL3395754

Cc1nc(C2CCCCC2)cs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
RAB9A P51151 6/20 0.42
NPC1 O15118 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
FPR1 P21462 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HSD17B10 Q99714 1/20 0.42
C1S P09871 1/20 0.41
TMIGD3 P0DMS9 1/20 0.38
ADORA1 P30542 1/20 0.38
IDO1 P14902 1/20 0.38
RORC P51449 1/20 0.38
PSMB5 P28074 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 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
SCHEMBL21610736 0.98 RAB9A (0.44) MAPK1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5708677 0.94 RAB9A (0.44) MAPK1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8003695 0.90
SCHEMBL22448993 0.88 ALDH1A1 (0.41) MAPK1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8256801 0.82 MAPT (0.45) MAPK1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL22860589 0.81 HRH4 (0.42) MAPK1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL10194544 0.81 RAB9A (0.44) MAPK1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2671753 0.81 RAB9A (0.44) MAPK1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL1801634 0.76 HSD17B10 (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL9891489 0.76 TMIGD3 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020002090-A1 SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
EP-2748150-B1 HIV REPLICATION INHIBITORS SOUTHERN RES INST (US) 2016-11-30 EP disclosed
US-9120787-B2 HIV replication inhibitors SOUTHERN RESEARCH INSTITUTE (US) 2015-09-01 US disclosed
US-9120787-B2 HIV replication inhibitors SOUTHERN RESEARCH INSTITUTE (US) 2015-09-01 US disclosed
US-20140235582-A1 HIV REPLICATION INHIBITORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-08-21 US disclosed
US-20140235582-A1 HIV REPLICATION INHIBITORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-08-21 US disclosed
WO-2013033003-A1 HIV REPLICATION INHIBITORS SOUTHERN RESEARCH INSTITUTE (US) 2013-03-07 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 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 (2 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-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 MAPK1 920/4885RAB9A 3162/4885NPC1 2489/4885
US-20140235582-A1 HIV REPLICATION INHIBITORS RTF2, POLR2H, POLR2E MAPK1 1913/4885RAB9A 2014/4885NPC1 1584/4885

“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.