SCHEMBL3373294

SCHEMBL3373294

CCC[N]Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
NOS2 P35228 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TRPA1 O75762 1/20 0.41
CYP3A4 P08684 1/20 0.41
MIF P14174 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
CALM1 P0DP23 1/20 0.38
TSHR P16473 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 1/20 0.35
IDO1 P14902 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
SCHEMBL2776492 0.86 TP53 (0.42) TP53NOS2ALDH1A1TRPA1CYP3A4
SCHEMBL10325242 0.85 TRPA1 (0.48) TP53NOS2ALDH1A1TRPA1CYP3A4
SCHEMBL9819726 0.85 SIGMAR1 (0.44) TP53CYP3A4MAPK1KMT2ATSHR
SCHEMBL9204871 0.83 DNM1 (0.46) TP53CYP3A4MAPK1KMT2ATSHR
SCHEMBL617341 0.83 DNM1 (0.46) TP53CYP3A4MAPK1KMT2ATSHR
SCHEMBL9209833 0.83 DNM1 (0.46) TP53CYP3A4MAPK1KMT2ATSHR
SCHEMBL9205311 0.83 DNM1 (0.46) TP53CYP3A4MAPK1KMT2ATSHR
SCHEMBL9210794 0.83 DNM1 (0.46) TP53CYP3A4MAPK1KMT2ATSHR
SCHEMBL9214128 0.83 DNM1 (0.46) TP53CYP3A4MAPK1KMT2ATSHR
SCHEMBL10821498 0.83 DNM1 (0.46) TP53CYP3A4MAPK1KMT2ATSHR

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763303-A1 SUBSTITUTED PYRIDAZINE CARBOXAMIDES AND DERIVATIVES THEREOF Bayer CropScience Aktiengesellschaft (DE) 2007-03-21 EP claimed
WO-2006000333-A1 SUBSTITUTED PYRIDAZINE CARBOXAMIDES AND DERIVATIVES THEREOF BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-01-05 WO claimed
US-6967216-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-11-22 US claimed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US claimed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP claimed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO claimed
US-4954499-A Pyridazinone derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-09-04 US claimed
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
US-7569570-B2 Thienopyrimidines, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-04 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 US disclosed
US-4122261-A Polycyclic iminoisoindoline chelates STERLING DRUG INC. (US) 1978-10-24 US disclosed
US-4074050-A COLOR FORMER HODOGAYA CHEMICAL CO., LTD. (JA) 1978-02-14 US disclosed
US-4073614-A Mixture of benzoxazines and benzodioxanes which may be used as color formers HODOGAYA CHEMICAL CO., LTD. (JA) 1978-02-14 US disclosed
US-4066653-A 1-IMINO-3-(4-IMINO-5-THIAZOLIDINYLIDENE)ISOINDOLINES STERLING DRUG INC. (US) 1978-01-03 US disclosed
US-3993658-A Thiazolidinylidene-isoindolines STERLING DRUG INC. (US) 1976-11-23 US disclosed
US-3967835-A Pressure-sensitive copying material HODOGAYA CHEMICAL CO., LTD. (JA) 1976-07-06 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 TP53 1634/4885NOS2 181/4885ALDH1A1 1611/4885
US-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI TP53 2998/4885NOS2 3426/4885ALDH1A1 517/4885
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor NPY5R, NPY1R, NPY2R TP53 4612/4885NOS2 1778/4885ALDH1A1 3792/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 TP53 1634/4885NOS2 181/4885ALDH1A1 1611/4885

“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.