SCHEMBL429772

SCHEMBL429772

CCCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.61
TAAR1 Q96RJ0 1/20 0.61
SIGMAR1 Q99720 14/20 0.59
IDO1 P14902 2/20 0.54
CYP1A2 P05177 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
IGF1R P08069 1/20 0.52
ALOX15 P16050 1/20 0.52
CYP2D6 P10635 1/20 0.52
TMEM97 Q5BJF2 1/20 0.52
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48

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
Bicarbonate SCHEMBL3431862 0.90 PNMT (0.52) PNMTTAAR1SIGMAR1IDO1CYP1A2
SCHEMBL9177318 0.86 SIGMAR1 (0.62) PNMTTAAR1SIGMAR1IDO1CYP1A2
SCHEMBL1448394 0.85 SIGMAR1 (0.63) PNMTTAAR1SIGMAR1IDO1CYP1A2
SCHEMBL11066232 0.83 SIGMAR1 (0.61) PNMTTAAR1SIGMAR1ALDH1A1TP53
SCHEMBL11136476 0.83 AHR (0.56) PNMTTAAR1SIGMAR1IDO1MAPT
SCHEMBL22333700 0.83 SIGMAR1 (0.61) PNMTTAAR1SIGMAR1ALDH1A1TP53
SCHEMBL7637395 0.82 CNR1 (0.45) PNMTTAAR1SIGMAR1CYP1A2MEN1
SCHEMBL12045765 0.82 ALOX5 (0.47) PNMTTAAR1SIGMAR1CYP1A2MEN1
SCHEMBL8338503 0.82 SIGMAR1 (0.47) PNMTTAAR1SIGMAR1CYP1A2MEN1
SCHEMBL12841593 0.82 SKP2 (0.46) PNMTTAAR1SIGMAR1CYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299354-B1 FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-22 EP claimed
EP-0767174-A1 Novel aminoalkanephosphinic acids and their salts CIBA-GEIGY AG (CH) 1997-04-09 EP claimed
US-5376684-A Aminobutyric acid antagonist; antiepileptic agent CIBA-GEIGY CORPORATION (US) 1994-12-27 US claimed
EP-0543780-A2 Novel aminoalkanephosphinic acids and their salts CIBA-GEIGY AG (CH) 1993-05-26 EP claimed
EP-3863638-B1 PHOSPHODIESTERASE INHIBITORS UNIV NEBRASKA (US) 2024-06-26 EP disclosed
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR FUKANG (SHANGHAI) HEALTH TECHNOLOGY CO., LTD (CN) 2024-01-18 US disclosed
WO-2023235548-A1 SQUARAMIDE DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RESEARCH TRIANGLE INSTITUTE (US) 2023-12-07 WO disclosed
US-11529347-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
US-20220127266-A1 MALIC ENZYME INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-04-28 US disclosed
US-11225480-B2 Malic enzyme inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD (IN) 2022-01-18 US disclosed
US-11203572-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2021-12-21 US disclosed
US-11180499-B2 Phosphodiesterase inhibitors BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 2021-11-23 US disclosed
EP-1162194-A1 Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use Aventis Pharma Deutschland GmbH (DE) 2001-12-12 EP disclosed
US-6288079-B1 MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS; NERVOUS SYSTEM, PSYCHOLOGICAL, EATING, SLEEP, AND BRAIN DISORDERS; ALZHEIMER*S AND PARKINSON*S DISEASE; TESOFENSINE (2-ethoxymethyl-3-(3,4-dichlorophenyl)-tropane) NEUROSEARCH A/S (DK) 2001-09-11 US disclosed
EP-0885220-A1 TROPANE-DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1998-12-23 EP disclosed
WO-1997030997-A1 TROPANE-DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1997-08-28 WO disclosed
EP-0767174-A1 Novel aminoalkanephosphinic acids and their salts CIBA-GEIGY AG (CH) 1997-04-09 EP disclosed
US-5500418-A ANTIEPILEPTIC CIBA-GEIGY CORPORATION (US) 1996-03-19 US disclosed
US-5376684-A Aminobutyric acid antagonist; antiepileptic agent CIBA-GEIGY CORPORATION (US) 1994-12-27 US disclosed
EP-0543780-A2 Novel aminoalkanephosphinic acids and their salts CIBA-GEIGY AG (CH) 1993-05-26 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 (6 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-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR PARP3, PARP1, PARP4 PNMT 4052/4885TAAR1 4878/4885SIGMAR1 4503/4885
US-11225480-B2 Malic enzyme inhibitors ME1, RNASE1, ME2 PNMT 3844/4885TAAR1 3983/4885SIGMAR1 3067/4885
US-20220127266-A1 MALIC ENZYME INHIBITORS ME1, ME2, ME3 PNMT 1863/4885TAAR1 4603/4885SIGMAR1 4820/4885
US-11529347-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPN21, PTPN22, PTPN5 PNMT 4845/4885TAAR1 4139/4885SIGMAR1 4155/4885
US-11203572-B2 Substituted benzamides and methods of use thereof BRIX1, RDX, RRM1 PNMT 1985/4885TAAR1 2806/4885SIGMAR1 537/4885
US-11180499-B2 Phosphodiesterase inhibitors PDE4A, PDE4B, PDE4C PNMT 131/4885TAAR1 491/4885SIGMAR1 2915/4885

“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.