SCHEMBL6986241

SCHEMBL6986241

Cc1nc(-c2ccc(F)cc2)co1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 5/20 0.69
ENPP1 P22413 3/20 0.69
KMT2A Q03164 2/20 0.55
TP53 P04637 6/20 0.47
POLB P06746 2/20 0.47
SCN9A Q15858 1/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
THRB P10828 2/20 0.43
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL12112408 0.83 ENPP3 (0.96) ENPP3ENPP1KMT2ATP53POLB
Ammonia Solution, Strong SCHEMBL28862464 0.82 ENPP3 (0.92) ENPP3ENPP1KMT2ATP53POLB
SCHEMBL2056109 0.80 ENPP3 (0.69) ENPP3ENPP1KMT2ATP53POLB
SCHEMBL8117354 0.80 ENPP3 (0.69) ENPP3ENPP1KMT2ATP53POLB
SCHEMBL1169116 0.80 ENPP3 (0.69) ENPP3ENPP1KMT2ATP53POLB
SCHEMBL2056137 0.79 ENPP3 (0.62) ENPP3ENPP1KMT2ATP53POLB
SCHEMBL8228630 0.79 ENPP3 (0.58) ENPP3ENPP1KMT2ATP53POLB
SCHEMBL2265105 0.79 ENPP3 (0.68) ENPP3ENPP1KMT2ATP53POLB
SCHEMBL28025185 0.78 ENPP3 (0.72) ENPP3ENPP1KMT2ATP53POLB
SCHEMBL8418313 0.78 ENPP3 (0.56) ENPP3ENPP1KMT2ATP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3555100-B1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO INC (US) 2023-05-10 EP disclosed
WO-2018130868-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. (US) 2018-07-19 WO disclosed
WO-2018130869-A1 BENZODIAZEPINE DERIVATIVES, COMPOSITIONS, AND METHODS FOR TREATING COGNITIVE IMPAIRMENT AGENEBIO, INC. (US) 2018-07-19 WO disclosed
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
EP-2978425-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2017-09-27 EP disclosed
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2016-09-01 US disclosed
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-26 US disclosed
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi BASF SE (DE) 2016-05-26 US disclosed
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-05 US disclosed
US-9271501-B2 Use of strobilurin type compounds for combating phytopathogenic fungi resistant to QO inhibitors BASF SE (DE) 2016-03-01 US disclosed
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 US disclosed
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2014-10-30 US disclosed
US-8183276-B2 Therapeutic agents MERCK SHARP & DOHME CORP. 2012-05-22 US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 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 (7 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-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI SNX1, DPM1, SNU13 ENPP3 2300/4885ENPP1 1108/4885KMT2A 3783/4885
US-20160046581-A1 Factor XIa Inhibitors F11, F12, TFPI ENPP3 3591/4885ENPP1 2992/4885KMT2A 3115/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 ENPP3 2171/4885ENPP1 1621/4885KMT2A 3043/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 ENPP3 2171/4885ENPP1 1621/4885KMT2A 3043/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB ENPP3 3627/4885ENPP1 2455/4885KMT2A 3197/4885
US-20100324029-A1 THERAPEUTIC AGENTS PSEN2, PSEN1, BACE2 ENPP3 693/4885ENPP1 593/4885KMT2A 4363/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB ENPP3 3627/4885ENPP1 2455/4885KMT2A 3197/4885

“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.