SCHEMBL1104238

SCHEMBL1104238

C=C=Nc1ccc(Cc2ccc(N=C=O)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.80
TSHR P16473 2/20 0.80
CYP1A2 P05177 1/20 0.57
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
P2RY6 Q15077 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
TRPA1 O75762 1/20 0.36
SLC22A2 O15244 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CYP2C9 P11712 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL13743147 0.90 CYP3A4 (0.65) CYP3A4TSHRCYP1A2TDP1MAPK1
SCHEMBL1396496 0.89 CYP3A4 (1.00) CYP3A4TSHRCYP1A2TDP1MAPK1
SCHEMBL12852256 0.89 CYP3A4 (1.00) CYP3A4TSHRCYP1A2TDP1MAPK1
SCHEMBL2044965 0.89 CYP3A4 (1.00) CYP3A4TSHRCYP1A2TDP1MAPK1
SCHEMBL13563727 0.89 CYP3A4 (0.60) CYP3A4TSHRCYP1A2TDP1MAPK1
SCHEMBL19943 0.89 CYP3A4 (1.00) CYP3A4TSHRCYP1A2TDP1MAPK1
SCHEMBL18126137 0.88 CYP3A4 (0.61) CYP3A4TSHRCYP1A2TDP1MAPK1
SCHEMBL30634516 0.87 CYP3A4 (0.95) CYP3A4TSHRCYP1A2TDP1MAPK1
Water SCHEMBL8522858 0.87 CYP3A4 (0.95) CYP3A4TSHRCYP1A2TDP1MAPK1
Ammonia Solution, Strong SCHEMBL3504367 0.87 CYP3A4 (0.95) CYP3A4TSHRCYP1A2TDP1MAPK1

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-12043770-B2 Temporary bonding composition, temporary bonding film, composite film, temporary bonding method and semiconductor wafer package DAXIN MATERIALS CORPORATION (TW) 2024-07-23 US disclosed
US-20180055142-A1 FOAMS, FOAMABLE COMPOSITIONS AND METHODS OF MAKING INTEGRAL SKIN FOAMS HONEYWELL INTERNATIONAL INC. 2018-03-01 US disclosed
US-9877478-B2 Encapsulation of herbicides to reduce crop injury MONSANTO TECHNOLOGY LLC (US) 2018-01-30 US disclosed
US-20170327622-A1 THERMOSET POLYISOBUTYLENE-POLYURETHANES AND METHODS FOR MAKING CARDIAC PACEMAKERS, INC. 2017-11-16 US disclosed
US-9735411-B2 Polymer for use as protective layers and other components in electrochemical cells SION POWER CORPORATION (US) 2017-08-15 US disclosed
US-20170107320-A1 Thermoplastic Polyurethane Materials For Forming Medical Devices BECTON, DICKINSON AND COMPANY 2017-04-20 US disclosed
US-9573889-B2 Methods and compositions for making an amino acid triisocyanate WARSAW ORTHOPEDIC, INC. (US) 2017-02-21 US disclosed
US-20160168085-A1 METHODS AND COMPOSITIONS FOR MAKING AN AMINO ACID TRIISOCYANATE WARSAW ORTHOPEDIC INC (US) 2016-06-16 US disclosed
US-20150349310-A1 POLYMER FOR USE AS PROTECTIVE LAYERS AND OTHER COMPONENTS IN ELECTROCHEMICAL CELLS SION POWER CORPORATION (US) 2015-12-03 US disclosed
US-8802355-B2 Lithographic printing plate precursor and plate making method thereof FUJIFILM CORPORATION (JP) 2014-08-12 US disclosed
US-8151705-B2 Method of preparing lithographic printing plate FUJIFILM CORPORATION (JP) 2012-04-10 US disclosed
US-20110076621-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PLATE MAKING METHOD THEREOF FUJIFILM CORPORATION (JP) 2011-03-31 US disclosed
US-20100248963-A1 Encapsulation of Herbicides to Reduce Crop Injury MONSANTO TECHNOLOGY LLC (US) 2010-09-30 US disclosed
US-20100081771-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2010-04-01 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 (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-20160168085-A1 METHODS AND COMPOSITIONS FOR MAKING AN AMINO ACID TRIISOCYANATE AADAT, AGT, PHYKPL CYP3A4 3695/4885TSHR 2776/4885CYP1A2 1682/4885
US-20100248963-A1 Encapsulation of Herbicides to Reduce Crop Injury HAGH, HACL2, HDHD5 CYP3A4 2624/4885TSHR 3826/4885CYP1A2 1065/4885

“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.