SCHEMBL2552937

SCHEMBL2552937

Cn1cnc(-c2nnc(Cc3ccc(F)cc3)o2)c(OCc2ccccc2)c1=S

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
HPGD P15428 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 5/20 0.40
TSHR P16473 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
POLB P06746 2/20 0.39
USP2 O75604 1/20 0.36
BRD4 O60885 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
APLNR P35414 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
MMP13 P45452 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
SCHEMBL2545473 0.88 SMN1; SMN2 (0.42) RAB9ASMN1; SMN2HPGDL3MBTL1TP53
SCHEMBL2551434 0.86 RAB9A (0.39) RAB9ASMN1; SMN2HPGDL3MBTL1TP53
SCHEMBL2551438 0.86 RAB9A (0.39) RAB9ASMN1; SMN2HPGDL3MBTL1TP53
SCHEMBL15199675 0.80 NPC1 (0.45) RAB9ASMN1; SMN2HPGDL3MBTL1TP53
SCHEMBL823364 0.73 NR1H4 (0.44) RAB9ASMN1; SMN2HPGDL3MBTL1TP53
SCHEMBL12266074 0.73 NPC1 (0.46) RAB9ASMN1; SMN2HPGDL3MBTL1TP53
SCHEMBL15199676 0.72 NPC1 (0.45) RAB9ASMN1; SMN2HPGDL3MBTL1TP53
SCHEMBL13572504 0.72 MAPT (0.39) RAB9ASMN1; SMN2HPGDL3MBTL1TP53
SCHEMBL4277137 0.72 MAPT (0.39) RAB9ASMN1; SMN2HPGDL3MBTL1TP53
SCHEMBL12265264 0.70 NPC1 (0.44) RAB9ASMN1; SMN2HPGDL3MBTL1TP53

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3235818-A2 COMPOUNDS FOR THE TREATMENT OF HIV Critical Outcome Technologies, Inc. (CA) 2017-10-25 EP disclosed
EP-3235818-A2 COMPOUNDS FOR THE TREATMENT OF HIV Critical Outcome Technologies, Inc. (CA) 2017-10-25 EP disclosed
EP-2552915-B1 COMPOUNDS FOR THE TREATMENT OF HIV CRITICAL OUTCOME TECH INC (CA) 2017-07-19 EP disclosed
EP-2552915-B1 COMPOUNDS FOR THE TREATMENT OF HIV CRITICAL OUTCOME TECH INC (CA) 2017-07-19 EP disclosed
US-9624220-B2 Compounds and method for treatment of HIV CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2017-04-18 US disclosed
US-9624220-B2 Compounds and method for treatment of HIV CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2017-04-18 US disclosed
US-9624220-B2 Compounds and method for treatment of HIV CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2017-04-18 US disclosed
US-20160333010-A1 COMPOUNDS AND METHOD FOR TREATMENT OF HIV CRITICAL OUTCOME TECH INC (CA) 2016-11-17 US disclosed
US-20160333010-A1 COMPOUNDS AND METHOD FOR TREATMENT OF HIV CRITICAL OUTCOME TECH INC (CA) 2016-11-17 US disclosed
US-20160333010-A1 COMPOUNDS AND METHOD FOR TREATMENT OF HIV CRITICAL OUTCOME TECH INC (CA) 2016-11-17 US disclosed
US-20150183782-A1 COMPOUNDS AND METHOD FOR TREATMENT OF HIV MORGAN STANLEY SENIOR FUNDING, INC. 2015-07-02 US disclosed
US-8987272-B2 Compounds and method for treatment of HIV CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2015-03-24 US disclosed
US-8987272-B2 Compounds and method for treatment of HIV CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2015-03-24 US disclosed
US-8987272-B2 Compounds and method for treatment of HIV CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2015-03-24 US disclosed
US-20130217693-A1 COMPOUNDS AND METHOD FOR TREATMENT OF HIV CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2013-08-22 US disclosed
US-20130217693-A1 COMPOUNDS AND METHOD FOR TREATMENT OF HIV CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2013-08-22 US disclosed
US-20130217693-A1 COMPOUNDS AND METHOD FOR TREATMENT OF HIV CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2013-08-22 US disclosed
EP-2552915-A1 COMPOUNDS AND METHOD FOR TREATMENT OF HIV Critical Outcome Technologies, Inc. (CA) 2013-02-06 EP disclosed
WO-2011120153-A1 COMPOUNDS AND METHOD FOR TREATMENT OF HIV CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2011-10-06 WO disclosed
WO-2011120153-A1 COMPOUNDS AND METHOD FOR TREATMENT OF HIV CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2011-10-06 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-20160333010-A1 COMPOUNDS AND METHOD FOR TREATMENT OF HIV NNT, CCR5, XDH RAB9A 3745/4885SMN1; SMN2 1940/4885HPGD 1082/4885
US-20130217693-A1 COMPOUNDS AND METHOD FOR TREATMENT OF HIV NNT, CCR5, XDH RAB9A 3745/4885SMN1; SMN2 1940/4885HPGD 1082/4885
US-20150183782-A1 COMPOUNDS AND METHOD FOR TREATMENT OF HIV NNT, CCR5, XDH RAB9A 3745/4885SMN1; SMN2 1940/4885HPGD 1082/4885

“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.