SCHEMBL2145

SCHEMBL2145

CC[N]Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TP53 P04637 2/20 0.50
TRPA1 O75762 2/20 0.50
CYP3A4 P08684 2/20 0.50
MIF P14174 1/20 0.50
HPGD P15428 1/20 0.50
NOS2 P35228 1/20 0.45
CALM1 P0DP23 1/20 0.41
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
TSHR P16473 3/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
IDO1 P14902 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL1653 0.86 ALDH1A1 (0.55) ALDH1A1TP53TRPA1CYP3A4MIF
Hydrogen Sulfide SCHEMBL5079696 0.83 ALDH1A1 (0.52) ALDH1A1TP53TRPA1CYP3A4MIF
SCHEMBL3373294 0.80 TP53 (0.46) ALDH1A1TP53TRPA1CYP3A4MIF
SCHEMBL10325242 0.78 TRPA1 (0.48) ALDH1A1TP53TRPA1CYP3A4MIF
SCHEMBL5101986 0.77 IDO1 (0.44) ALDH1A1TP53HPGDKMT2AIDO1
SCHEMBL22272281 0.77 TP53 (0.48) ALDH1A1TP53TRPA1CYP3A4MIF
SCHEMBL2776492 0.77 TP53 (0.42) ALDH1A1TP53TRPA1CYP3A4MIF
SCHEMBL1885696 0.75 MIF (0.54) ALDH1A1TP53TRPA1MIFHPGD
SCHEMBL8851885 0.75 TAAR1 (0.40) ALDH1A1LMNAIDO1KDM4E
SCHEMBL3157505 0.75 LOXL2 (0.42) ALDH1A1CYP3A4HPGDHSD17B10LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220211701-A1 TREATMENT OF CANCER UTILIZING AN IDENTIFIED ADENOSINE FINGERPRINT ARCUS BIOSCIENCES, INC. (US) 2022-07-07 US claimed
CN-114395005-A Modulators of extracellular 5' -nucleotidase and uses thereof 艾库斯生物科学有限公司 2022-04-26 CN claimed
EP-3947463-A1 TREATMENT OF CANCER UTILIZING AN IDENTIFIED ADENOSINE FINGERPRINT Arcus Biosciences, Inc. (US) 2022-02-09 EP claimed
EP-3937964-A1 TREATMENT OF ONCOGENE-DRIVEN CANCERS Arcus Biosciences, Inc. (US) 2022-01-19 EP claimed
CN-113874397-A Treatment of cancer using identified adenosine fingerprints 艾库斯生物科学有限公司 2021-12-31 CN claimed
CN-113795267-A Oncogene driven treatment of cancer 艾库斯生物科学有限公司 2021-12-14 CN claimed
EP-3761993-A1 PARENTERALLY ADMINISTERED IMMUNE ENHANCING DRUGS Arcus Biosciences, Inc. (US) 2021-01-13 EP claimed
US-20200405629-A1 PARENTERALLY ADMINISTERED IMMUNE ENHANCING DRUGS ARCUS BIOSCIENCES, INC. 2020-12-31 US claimed
CN-112004541-A Immunopotentiating medicine for parenteral administration 艾库斯生物科学有限公司 2020-11-27 CN claimed
WO-2020205527-A1 TREATMENT OF CANCER UTILIZING AN IDENTIFIED ADENOSINE FINGERPRINT ARCUS BIOSCIENCES, INC. (US) 2020-10-08 WO claimed
EP-0011756-A2 Pressure sensitive registration material BASF Aktiengesellschaft (DE) 1980-06-11 EP claimed
US-4132436-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1979-01-02 US claimed
US-4122089-A Aminothiofluoran compounds, process for the production thereof, and recording elements containing the same SANKIO CHEMICAL CO., LTD. (JP) 1978-10-24 US claimed
US-4119777-A BY OXIDATION OF A THIOAMIDE DERIVATIVE FUJI PHOTO FILM CO., LTD. (JP) 1978-10-10 US claimed
US-4094877-A SUBSTITUTED 3,3-DIPHENYLPHTHALIDES AS COLOR PRECURSORS STERLING DRUG INC. (US) 1978-06-13 US claimed
US-4049661-A FIBER-REACTIVE CIBA-GEIGY AG (CH) 1977-09-20 US claimed
US-4042642-A 1,3-BIS(MORPHOLINOTHIO)-IMIDAZOLIDINONE THE GOODYEAR TIRE & RUBBER COMPANY (US) 1977-08-16 US claimed
US-4029597-A AZO DYES HAVING A SULFONIC ACID OR CARBOXYL GROUP E. MERCK A. G. (DT) 1977-06-14 US claimed
US-4029598-A AZO DYES HAVING A SULFONIC ACID OR CARBOXYL GROUP E. MERCK A. G. (DT) 1977-06-14 US claimed
US-3960857-A Urea additives for sulfur vulcanizable polymers THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-06-01 US claimed

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-20200405629-A1 PARENTERALLY ADMINISTERED IMMUNE ENHANCING DRUGS NT5C2, ADA, ENTPD1 ALDH1A1 1616/4885TP53 2623/4885TRPA1 4785/4885
US-20220211701-A1 TREATMENT OF CANCER UTILIZING AN IDENTIFIED ADENOSINE FINGERPRINT NTPCR, ADORA2A, NT5C2 ALDH1A1 630/4885TP53 34/4885TRPA1 4641/4885

“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.