SCHEMBL6438818

SCHEMBL6438818

Cc1ccc(C=O)c(F)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
KCNJ1 P48048 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
ERN1 O75460 2/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP2 O95551 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
SCHEMBL154414 0.84 ALDH1A1 (0.44) ALDH1A1TSHRKCNJ1TDP1MEN1
SCHEMBL584614 0.82 ERN1 (0.42) ALDH1A1TSHRKCNJ1TDP1MEN1
SCHEMBL5233407 0.82 ALDH1A1 (0.43) ALDH1A1TSHRKCNJ1TDP1MEN1
SCHEMBL19641559 0.80 ALDH1A1 (0.41) ALDH1A1TSHRKCNJ1TDP1MEN1
SCHEMBL12593983 0.78 ERN1 (0.40) ALDH1A1TSHRMEN1KMT2AERN1
SCHEMBL13743324 0.78 TSHR (0.36) ALDH1A1TSHRKCNJ1TDP1MEN1
SCHEMBL17842808 0.78 ALDH1A1 (0.40) ALDH1A1TSHRKCNJ1TDP1MEN1
SCHEMBL19862054 0.78 ALDH1A1 (0.35) ALDH1A1TSHRKCNJ1TDP1MEN1
SCHEMBL14882565 0.78 ERN1 (0.44) ALDH1A1TSHRERN1TRIM24TRIM33
SCHEMBL18508549 0.78 ALDH1A1 (0.40) ALDH1A1TSHRKCNJ1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370370-B2 Aminobenzisoxazole compounds as agonists of α7-nicotinic acetylcholine receptors AXOVANT SCIENCES GMBH (CH) 2019-08-06 US disclosed
US-10370370-B2 Aminobenzisoxazole compounds as agonists of α7-nicotinic acetylcholine receptors AXOVANT SCIENCES GMBH (CH) 2019-08-06 US disclosed
US-20180134696-A1 Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2018-05-17 US disclosed
US-20180134696-A1 Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2018-05-17 US disclosed
US-20180134696-A1 Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2018-05-17 US disclosed
EP-3307269-A1 AMINOBENZISOXAZOLE COMPOUNDS AS AGONISTS OF A7-NICOTINIC ACETYLCHOLINE RECEPTORS Axovant Sciences GmbH (DE) 2018-04-18 EP disclosed
US-9562045-B2 Process for preparation of indolizine based derivatives as potential phosphodiestrase 3 (PDE3) inhibitors COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-02-07 US disclosed
WO-2016201096-A1 AMINOBENZISOXAZOLE COMPOUNDS AS AGONISTS OF A7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2016-12-15 WO disclosed
US-20160159792-A1 PROCESS FOR PREPARATION OF INDOLIZINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTRASE 3 (PDE3) INHIBITORS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-09 US disclosed
US-20110104055-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTEOTECH INC. 2011-05-05 US disclosed
CN-1211340-C Process for preparing fluorinated and chlorinated benzaldehydes and compositions thereof MILLIKEN & CO (US) 2005-07-20 CN disclosed
EP-1313690-B1 METHOD OF PRODUCING FLUORINATED AND CHLORINATED BENZALDEHYDES MILLIKEN & CO (US) 2005-04-06 EP disclosed
CN-1449368-A Method of producing fluorinated and chlorinated benzaldehydes and compositions thereof MILLIKEN & CO (US) 2003-10-15 CN disclosed
EP-1313691-A2 FLUORINATED AND CHLORINATED BENZALDEHYDES Milliken & Company (US) 2003-05-28 EP disclosed
EP-1313690-A1 METHOD OF PRODUCING FLUORINATED AND CHLORINATED BENZALDEHYDES AND COMPOSITIONS THEREOF Milliken & Company (US) 2003-05-28 EP disclosed
WO-2002020452-A2 NOVEL FLUORINATED AND CHLORINATED BENZALDEHYDES MILLIKEN & COMPANY (US) 2002-03-14 WO disclosed
WO-2002020447-A1 METHOD OF PRODUCING FLUORINATED AND CHLORINATED BENZALDEHYDES AND COMPOSITIONS THEREOF MILLIKEN & COMPANY (US) 2002-03-14 WO disclosed
US-6300525-B1 CONTACTING SUBSTITUTED BENZENE IN CARBON MONOXIDE ATMOSPHERE HAVING SPECIFIED PRESSURE IN PRESENCE OF METAL HALIDE AND HYDROHALIC ACID CATALYST AND AT SPECIFIED TEMPERATURE MILLIKEN & COMPANY 2001-10-09 US disclosed
US-6297405-B1 EFFICIENTLY PRODUCED BENZALDEHYDE CHEMICAL INTERMEDIATE SUBSTITUTED BY ONE HALOGEN AND ALKYL OR CYCLOALKYL GROUPS AT OTHER POSITIONS MILLIKEN & COMPANY 2001-10-02 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 (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-10370370-B2 Aminobenzisoxazole compounds as agonists of α7-nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA2 ALDH1A1 2556/4885TSHR 779/4885KCNJ1 1009/4885
US-20110104055-A1 SUBSTITUTED N-ARYL BENZAMIDES AND RELATED COMPOUNDS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES IAPP, SNCA, BACE2 ALDH1A1 2495/4885TSHR 4061/4885KCNJ1 880/4885
US-20160159792-A1 PROCESS FOR PREPARATION OF INDOLIZINE BASED DERIVATIVES AS POTENTIAL PHOSPHODIESTRASE 3 (PDE3) INHIBITORS PDE3A, PDE5A, PDE3B ALDH1A1 828/4885TSHR 4109/4885KCNJ1 2984/4885
US-20180134696-A1 Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors CHRNA7, CHRNA5, CHRNA2 ALDH1A1 2821/4885TSHR 808/4885KCNJ1 1408/4885

“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.