SCHEMBL3607694

SCHEMBL3607694

CC(=O)c1[c]cc(Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
RAB9A P51151 4/20 0.36
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
NLRP1 Q9C000 1/20 0.36
BRD4 O60885 1/20 0.35
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
ABCB11 O95342 1/20 0.33
PTK2 Q05397 1/20 0.32
FSCN1 Q16658 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL865712 0.80 TSHR (0.44) CES2CES1SMN1; SMN2ALOX15TSHR
SCHEMBL3609237 0.78 NPC1 (0.38) CES2CES1RAB9AHTTSMN1; SMN2
SCHEMBL1196135 0.78 ABL1 (0.43) RAB9ASMN1; SMN2NPC1MAPTTSHR
SCHEMBL3617819 0.78 ALDH1A1 (0.40) RAB9AHTTSMN1; SMN2NPC1KMT2A
SCHEMBL3062621 0.76 MAPT (0.41) CES2CES1RAB9ASMN1; SMN2NPC1
SCHEMBL8463456 0.76 ALDH1A1 (0.41) CES2CES1RAB9AHTTSMN1; SMN2
SCHEMBL1601408 0.74 CES2 (0.34) CES2CES1MEN1KMT2AMAOB
SCHEMBL6204341 0.74 ALDH1A1 (0.52) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL3956678 0.71 HPGD (0.43) CES2CES1RAB9ASMN1; SMN2NPC1
SCHEMBL6174528 0.71 ALDH1A1 (0.41) RAB9ANPC1KMT2ALMNAMAOB

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
US-8410155-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-02 US claimed
US-20100016316-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-21 US claimed
EP-2102189-A2 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2009-09-23 EP claimed
WO-2008076805-A2 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-26 WO claimed
EP-3666777-B1 DIBENZOPYRROMETHENE BORON CHELATE COMPOUND, NEAR-INFRARED LIGHT-ABSORBING MATERIAL, THIN-FILM, AND ORGANIC ELECTRONIC DEVICE NIPPON KAYAKU KK (JP) 2023-10-11 EP disclosed
WO-2023078252-A1 PPARG INVERSE AGONISTS AND USES THEREOF FLARE THERAPEUTICS INC. (US) 2023-05-11 WO disclosed
CN-110637023-B Dibenzopyrrole methine boron chelate compound, near infrared light absorbing material, thin film, and organic electronic device 日本化药株式会社 2022-07-08 CN disclosed
US-10749116-B1 Dibenzopyrromethene boron chelate compound, near-infrared light-absorbing material, thin-film, and organic electronic device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2020-08-18 US disclosed
US-20200243774-A1 Dibenzopyrromethene Boron Chelate Compound, Near-Infrared Light-Absorbing Material, Thin-Film, and Organic Electronic Device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2020-07-30 US disclosed
CN-110637023-A Dibenzopyrrole methine boron chelate compound, near-infrared light absorbing material, thin film and organic electronic device 日本化药株式会社 2019-12-31 CN disclosed
US-8410155-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-02 US disclosed
US-20100016316-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-21 US disclosed
EP-2102189-A2 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2009-09-23 EP disclosed
WO-2008076805-A2 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-26 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-20200243774-A1 Dibenzopyrromethene Boron Chelate Compound, Near-Infrared Light-Absorbing Material, Thin-Film, and Organic Electronic Device CX3CR1, CRY1, PAX3 CES2 3569/4885CES1 4191/4885RAB9A 1220/4885
US-10749116-B1 Dibenzopyrromethene boron chelate compound, near-infrared light-absorbing material, thin-film, and organic electronic device CX3CR1, CRY1, PAX3 CES2 3512/4885CES1 4178/4885RAB9A 1253/4885
US-20100016316-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS F12, TFPI, F11 CES2 3073/4885CES1 1498/4885RAB9A 1667/4885

“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.