SCHEMBL7007977

SCHEMBL7007977

NCC(=O)c1c[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.66
ALDH1A1 P00352 2/20 0.66
ATM Q13315 1/20 0.66
GPR84 Q9NQS5 1/20 0.65
CTNNB1 P35222 5/20 0.64
WNT3A P56704 5/20 0.64
PBRM1 Q86U86 1/20 0.61
LMNA P02545 1/20 0.60
KMT2A Q03164 2/20 0.57
NR4A2 P43354 2/20 0.56
MAPK1 P28482 1/20 0.56
CREBBP Q92793 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55

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
SCHEMBL30839501 1.00 ADAM17 (0.66) ADAM17ALDH1A1ATMGPR84CTNNB1
Hydrochloric Acid SCHEMBL20509735 0.98 ADAM17 (0.64) ADAM17ALDH1A1ATMGPR84CTNNB1
Bromide SCHEMBL7244503 0.98 ADAM17 (0.64) ADAM17ALDH1A1ATMGPR84CTNNB1
Acetic Acid SCHEMBL28541136 0.94 ADAM17 (0.63) ADAM17ALDH1A1ATMGPR84CTNNB1
SCHEMBL4056357 0.84 ADAM17 (0.68) ADAM17ALDH1A1ATMGPR84CTNNB1
SCHEMBL32685253 0.84 ADAM17 (0.68) ADAM17ALDH1A1ATMGPR84CTNNB1
SCHEMBL3717752 0.84 ADAM17 (0.68) ADAM17ALDH1A1ATMGPR84CTNNB1
SCHEMBL3122183 0.83 ALDH1A1 (0.67) ADAM17ALDH1A1ATMGPR84CTNNB1
SCHEMBL1903034 0.82 ADAM17 (0.66) ADAM17ALDH1A1ATMGPR84CTNNB1
SCHEMBL31295276 0.82 ADAM17 (0.66) ADAM17ALDH1A1ATMGPR84CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110218206-B Bisindolylmaleimide derivative and preparation method and application thereof 中国海洋大学 2022-03-04 CN claimed
CN-1064359-C Diindole heterocyclic compounds, preparing method and use thereof SHANGHAI INST ORGANIC CHEM (CN) 2001-04-11 CN claimed
CN-1224015-A Diindole heterocyclic compounds, preparing method and use thereof SHANGHAI INST ORGANIC CHEM (CN) 1999-07-28 CN claimed
WO-2024133499-A1 GLYCINE DERIVATIVES WITH P2X4 RECEPTOR-BLOCKING ACTIVITY AS DIAGNOSTICS AND FOR THE TREATMENT OF PAIN, INFLAMMATION, CANCER, AND OTHER P2X4 RECEPTOR-RELATED DISEASES RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) 2024-06-27 WO disclosed
US-20240124408-A1 Substituted Cyclohexanecarboxamides, Their Preparation and Their Therapeutic Application SANOFI (FR) 2024-04-18 US disclosed
US-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY SPERMATECH AS (NO) 2023-08-24 US disclosed
US-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY SPERMATECH AS (NO) 2023-08-24 US disclosed
US-20230257347-A1 ADVANTAGEOUS TRYPTAMINE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2023-08-17 US disclosed
EP-4214192-A1 ADVANTAGEOUS TRYPTAMINE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT Tactogen Inc. (US) 2023-07-26 EP disclosed
WO-2022061242-A1 ADVANTAGEOUS TRYPTAMINE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT TACTOGEN INC (US) 2022-03-24 WO disclosed
CN-110218206-B Bisindolylmaleimide derivative and preparation method and application thereof 中国海洋大学 2022-03-04 CN disclosed
US-8993588-B2 Carboxamide heterocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-03-31 US disclosed
US-20100179166-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-07-15 US disclosed
US-20100179166-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-07-15 US disclosed
US-7615638-B2 Synthesis of grossularines-1 and analogs thereof and method of use CITY OF HOPE (US) 2009-11-10 US disclosed
US-7615638-B2 Synthesis of grossularines-1 and analogs thereof and method of use CITY OF HOPE (US) 2009-11-10 US disclosed
US-20080033004-A1 SYNTHESIS OF GROSSULARINES-1 AND ANALOGS THEREOF AND METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-02-07 US disclosed
EP-1042317-B1 Indole derivatives as PKC-inhiboitors ASTRAZENECA AB (SE) 2003-05-14 EP disclosed
EP-1042317-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2000-10-11 EP disclosed
WO-1999032483-A1 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 1999-07-01 WO 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 (5 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-20230263155-A1 5-(1H-INDOL-3-YL)-OXAZOLE, -OXADIAZOLE AND -FURAN DERIVATIVES AS ENHANCERS OF SPERM MOTILITY NR5A1, NR1I3, NR5A2 ADAM17 3480/4885ALDH1A1 1219/4885ATM 3385/4885
US-20240124408-A1 Substituted Cyclohexanecarboxamides, Their Preparation and Their Therapeutic Application TRPM8, TAS2R8, TRPM7 ADAM17 2249/4885ALDH1A1 3565/4885ATM 2756/4885
US-20100179166-A1 CARBOXAMIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CCKBR ADAM17 2396/4885ALDH1A1 1925/4885ATM 4019/4885
US-20080033004-A1 SYNTHESIS OF GROSSULARINES-1 AND ANALOGS THEREOF AND METHOD OF USE INMT, GNMT, HTR5A ADAM17 1970/4885ALDH1A1 361/4885ATM 4238/4885
US-20230257347-A1 ADVANTAGEOUS TRYPTAMINE COMPOSITIONS FOR MENTAL DISORDERS OR ENHANCEMENT HTR6, TPH2, TPH1 ADAM17 1427/4885ALDH1A1 3674/4885ATM 2259/4885

“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.