SCHEMBL3433424

SCHEMBL3433424

C#Cc1ccc(C)cc1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
ACHE P22303 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2A6 P11509 2/20 0.35
TRPV4 Q9HBA0 1/20 0.33
PDE9A O76083 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPA1 O75762 1/20 0.31
AR P10275 1/20 0.31
PYCR1 P32322 1/20 0.31

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
Methylamine SCHEMBL16286686 0.96 NFE2L2 (0.34) NFE2L2CYP11B1CYP11B2ACHECYP1A2
SCHEMBL2897973 0.82 NFE2L2 (0.36) NFE2L2ACHECYP1A2CYP2A6TDP1
SCHEMBL3843168 0.78 CYP2A6 (0.39) ACHECYP1A2CYP2A6TDP1TP53
SCHEMBL30985 0.77 TRPV4 (0.57) CYP11B1CYP11B2TRPV4AR
SCHEMBL21201424 0.77 NFE2L2 (0.36) NFE2L2CYP11B1CYP11B2ACHECYP1A2
SCHEMBL30111761 0.76 ALDH1A1 (0.42) NFE2L2CYP11B1CYP11B2CYP1A2CYP2A6
SCHEMBL30150790 0.76 TDP1 (0.42) ACHECYP1A2CYP2A6TDP1TP53
SCHEMBL434666 0.76 ALDH1A1 (0.42) NFE2L2CYP11B1CYP11B2CYP1A2CYP2A6
SCHEMBL935347 0.76 TDP1 (0.42) ACHECYP1A2CYP2A6TDP1TP53
SCHEMBL16182687 0.74 HDAC8 (0.34) CYP11B1CYP11B2TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551834-B1 SUBSTITUTED QUINAZOLINONE COMPOUNDS NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-08-25 EP claimed
EP-3632443-B1 ANTI-TUMOR EFFECT POTENTIATOR USING A BIPHENYL COMPOUND TAIHO PHARMACEUTICAL CO LTD (JP) 2023-06-07 EP disclosed
EP-3633380-A1 METHOD FOR PREDICTING THERAPEUTIC EFFECT OF LSD1 INHIBITOR BASED ON EXPRESSION OF INSM1 Taiho Pharmaceutical Co., Ltd. (JP) 2020-04-08 EP disclosed
WO-2017090756-A1 NOVEL BIPHENYL COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2017-06-01 WO disclosed
US-9012456-B2 Compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-21 US disclosed
US-20130225601-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 US disclosed
US-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-07-12 US disclosed
EP-2462142-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS Merz Pharma GmbH & Co. KGaA (DE) 2012-06-13 EP 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-20120178742-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS GRM5, GRIK5, GRM1 NFE2L2 3091/4885CYP11B1 2654/4885CYP11B2 2312/4885
US-20130225601-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF GPR119, GPR65, GPBAR1 NFE2L2 2992/4885CYP11B1 534/4885CYP11B2 523/4885

“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.