SCHEMBL7239671

SCHEMBL7239671

NCCc1ccc(N)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.54
ADRA2B P18089 1/20 0.49
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
RAD52 P43351 2/20 0.43
RECQL P46063 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAPDH P04406 1/20 0.43
THRB P10828 1/20 0.43
APEX1 P27695 1/20 0.43
BLM P54132 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AGO2 Q9UKV8 1/20 0.41
HTR2A P28223 2/20 0.39
MPO P05164 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL23413275 0.89 ADRA2B (0.45) TAAR1ADRA2BMPO
SCHEMBL26460682 0.88 ADRA2B (0.47) TAAR1ADRA2BKMT2AMEN1TDP1
SCHEMBL4332045 0.86 ADRA2B (0.49) TAAR1ADRA2BTDP1MAPTMAPK1
SCHEMBL17182626 0.85 ADRA2B (0.45) TAAR1ADRA2BKMT2AMEN1TDP1
SCHEMBL2384003 0.85 ADRA2B (0.45) TAAR1ADRA2BKMT2AMEN1RAD52
Hydrochloric Acid SCHEMBL1161200 0.84 ADRA2B (0.47) TAAR1ADRA2BKMT2AMEN1RAD52
Hydrochloric Acid SCHEMBL31716430 0.84 ADRA2B (0.47) TAAR1ADRA2BKMT2AMEN1RAD52
SCHEMBL31175766 0.83 ADRA2B (0.50) TAAR1ADRA2BKMT2AMEN1TDP1
SCHEMBL26037690 0.83 ADRA2B (0.50) TAAR1ADRA2BKMT2AMEN1TDP1
SCHEMBL1116576 0.81 IDO1 (0.57) TAAR1KMT2AMEN1RAD52RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230027075-A1 SULFONAMIDE COMPOUNDS TARGETING CD73 AND ADENOSINE RECEPTORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2023-01-26 US disclosed
EP-4065590-A1 SULFONAMIDE COMPOUNDS TARGETING CD73 AND ADENOSINE RECEPTORS Aurigene Discovery Technologies Limited (IN) 2022-10-05 EP disclosed
CN-114728998-A Sulfonamide compounds targeting CD73 and adenosine receptors 奥瑞基尼探索技术有限公司 2022-07-08 CN disclosed
WO-2021105916-A1 SULFONAMIDE COMPOUNDS TARGETING CD73 AND ADENOSINE RECEPTORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2021-06-03 WO disclosed
WO-2010123017-A1 TETRAZOLE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 WO disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
CN-1075808-C Aniline derivatives having nitric oxide synthase inhibitory activity CHUGAI PHARMACEUTICAL CO LTD (JP) 2001-12-05 CN disclosed
CN-1310169-A Anils with nitric oxide synzyme inhibiting function SHUGAI SEIYAKU K K (JP) 2001-08-29 CN disclosed
CN-1172473-A Aniline derivatives having nitric oxide synthase inhibitory activity CHUGAI PHARMACEUTICAL CO LTD (JP) 1998-02-04 CN disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 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 (1 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-20230027075-A1 SULFONAMIDE COMPOUNDS TARGETING CD73 AND ADENOSINE RECEPTORS ADORA2A, ADORA2B, ENTPD5 TAAR1 218/4885ADRA2B 249/4885KMT2A 1815/4885

“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.