SCHEMBL3215787

SCHEMBL3215787

Cc1ccc(N)c(-c2c(N)ccc(C)c2C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.44
NSD2 O96028 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PAX8 Q06710 1/20 0.44
CYP3A4 P08684 9/20 0.42
TDP1 Q9NUW8 6/20 0.42
TSHR P16473 5/20 0.42
ALDH1A1 P00352 4/20 0.42
POLB P06746 1/20 0.42
CASP1 P29466 1/20 0.42
THRB P10828 2/20 0.41
PIK3CA P42336 1/20 0.41
NOS3 P29474 2/20 0.39
NOS2 P35228 2/20 0.39
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CD44 P16070 1/20 0.36
MAPK1 P28482 1/20 0.35
NOS1 P29475 1/20 0.35

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
SCHEMBL30238157 1.00 TDP2 (0.44) TDP2NSD2HSP90AA1PAX8CYP3A4
SCHEMBL4447138 0.81 KMT2A (0.41) TDP2NSD2HSP90AA1PAX8CYP3A4
SCHEMBL15313038 0.81 TDP2 (0.52) TDP2NSD2HSP90AA1PAX8CYP3A4
SCHEMBL31607639 0.79 ALDH1A1 (0.48) TDP2NSD2HSP90AA1PAX8CYP3A4
SCHEMBL6812287 0.79 CYP3A4 (0.50) TDP2NSD2HSP90AA1PAX8CYP3A4
SCHEMBL33509 0.79 CYP3A4 (0.50) TDP2NSD2HSP90AA1PAX8CYP3A4
Fluoride SCHEMBL1502751 0.77 CYP3A4 (0.48) CYP3A4TDP1TSHRALDH1A1POLB
Hydrochloric Acid SCHEMBL553599 0.77 CYP3A4 (0.48) CYP3A4TDP1TSHRALDH1A1POLB
Water SCHEMBL9259705 0.77 CYP3A4 (0.48) CYP3A4TDP1TSHRALDH1A1POLB
Iodide SCHEMBL1157672 0.77 CYP3A4 (0.48) CYP3A4TDP1TSHRALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111517964-B Method for splitting chiral compound 上海科技大学 2023-02-10 CN disclosed
CN-111517964-A Method for splitting chiral compound 上海科技大学 2020-08-11 CN disclosed
EP-1854796-B1 OPTICALLY ACTIVE AMMONIUM SALT COMPOUND, PRODUCTION INTERMEDIATE THEREOF AND METHOD FOR PRODUCING SAME NIPPON SODA CO (JP) 2016-05-04 EP disclosed
EP-1854796-B1 OPTICALLY ACTIVE AMMONIUM SALT COMPOUND, PRODUCTION INTERMEDIATE THEREOF AND METHOD FOR PRODUCING SAME NIPPON SODA CO (JP) 2016-05-04 EP disclosed
US-8962898-B2 Optically active ammonium salt compound, production intermediate thereof, and production method thereof NIPPON SODA CO., LTD. (JP) 2015-02-24 US disclosed
US-8962898-B2 Optically active ammonium salt compound, production intermediate thereof, and production method thereof NIPPON SODA CO., LTD. (JP) 2015-02-24 US disclosed
US-8962898-B2 Optically active ammonium salt compound, production intermediate thereof, and production method thereof NIPPON SODA CO., LTD. (JP) 2015-02-24 US disclosed
US-20130131337-A1 OPTICALLY ACTIVE AMMONIUM SALT COMPOUND, PRODUCTION INTERMEDIATE THEREOF, AND PRODUCTION METHOD THEREOF NIPPON SODA CO., LTD. (JP) 2013-05-23 US disclosed
US-20130131337-A1 OPTICALLY ACTIVE AMMONIUM SALT COMPOUND, PRODUCTION INTERMEDIATE THEREOF, AND PRODUCTION METHOD THEREOF NIPPON SODA CO., LTD. (JP) 2013-05-23 US disclosed
US-20130131337-A1 OPTICALLY ACTIVE AMMONIUM SALT COMPOUND, PRODUCTION INTERMEDIATE THEREOF, AND PRODUCTION METHOD THEREOF NIPPON SODA CO., LTD. (JP) 2013-05-23 US disclosed
US-8367820-B2 Optically active ammonium salt compound, production intermediate thereof, and production method thereof NIPPON SODA CO., LTD. (JP) 2013-02-05 US disclosed
US-8367820-B2 Optically active ammonium salt compound, production intermediate thereof, and production method thereof NIPPON SODA CO., LTD. (JP) 2013-02-05 US disclosed
US-8367820-B2 Optically active ammonium salt compound, production intermediate thereof, and production method thereof NIPPON SODA CO., LTD. (JP) 2013-02-05 US disclosed
US-20100041881-A1 OPTICALLY ACTIVE AMMONIUM SALT COMPOUND, PRODUCTION INTERMEDIATE THEREOF, AND PRODUCTION METHOD THEREOF NIPPON SODA CO., LTD. (JP) 2010-02-18 US disclosed
US-20100041881-A1 OPTICALLY ACTIVE AMMONIUM SALT COMPOUND, PRODUCTION INTERMEDIATE THEREOF, AND PRODUCTION METHOD THEREOF NIPPON SODA CO., LTD. (JP) 2010-02-18 US disclosed
US-20100041881-A1 OPTICALLY ACTIVE AMMONIUM SALT COMPOUND, PRODUCTION INTERMEDIATE THEREOF, AND PRODUCTION METHOD THEREOF NIPPON SODA CO., LTD. (JP) 2010-02-18 US disclosed
EP-1854796-A1 OPTICALLY ACTIVE AMMONIUM SALT COMPOUND, PRODUCTION INTERMEDIATE THEREOF AND METHOD FOR PRODUCING SAME Kyoto University (JP) 2007-11-14 EP disclosed
EP-1854796-A1 OPTICALLY ACTIVE AMMONIUM SALT COMPOUND, PRODUCTION INTERMEDIATE THEREOF AND METHOD FOR PRODUCING SAME Kyoto University (JP) 2007-11-14 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-20100041881-A1 OPTICALLY ACTIVE AMMONIUM SALT COMPOUND, PRODUCTION INTERMEDIATE THEREOF, AND PRODUCTION METHOD THEREOF ASS1, ACSL3, AGT TDP2 4800/4885NSD2 2524/4885HSP90AA1 4725/4885

“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.