SCHEMBL1397693

SCHEMBL1397693

Nc1cccc(N2CCCCC2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.66
ALDH1A1 P00352 6/20 0.57
MAPT P10636 5/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
GAA P10253 3/20 0.57
ALOX15 P16050 3/20 0.57
KDM4E B2RXH2 3/20 0.57
HTT P42858 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
HSD17B10 Q99714 2/20 0.57
POLB P06746 2/20 0.57
RECQL P46063 2/20 0.57
NPC1 O15118 1/20 0.57
USP2 O75604 1/20 0.57
TP53 P04637 1/20 0.57
THRB P10828 1/20 0.57
RAB9A P51151 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
S100B P04271 2/20 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
SCHEMBL29378385 1.00 ADRA2C (0.66) ADRA2CALDH1A1MAPTMEN1KMT2A
SCHEMBL15928733 1.00 ADRA2C (0.66) ADRA2CALDH1A1MAPTMEN1KMT2A
SCHEMBL30469317 1.00 ADRA2C (0.66) ADRA2CALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL9014044 0.98 ADRA2C (0.63) ADRA2CALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL4631044 0.98 ADRA2C (0.63) ADRA2CALDH1A1MAPTMEN1KMT2A
SCHEMBL533024 0.98 ADRA2C (0.68) ADRA2CALDH1A1MAPTMEN1KMT2A
SCHEMBL15289763 0.93 ADRA2C (0.68) ADRA2CALDH1A1MAPTMEN1KMT2A
SCHEMBL6942579 0.89 ADRA2C (0.80) ADRA2CALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7077636 0.86 ADRA2C (0.77) ADRA2CALDH1A1MAPTMEN1KMT2A
SCHEMBL22685038 0.86 ALDH1A1 (0.59) ADRA2CALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190834-B1 PYRIDONEAMIDE DERIVATIVES AS FOCAL ADHESION KINASE (FAK) INHIBITORS AND THEIR USE FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2011-03-02 EP claimed
EP-2065380-A1 Pyridoneamide derivatives as focal adhesion kinase (FAK) inhibitors and their use for the treatment of cancer F.HOFFMANN-LA ROCHE AG (CH) 2009-06-03 EP claimed
EP-1542982-A1 HAIR DYES COMPRISING M-PHENYLENEDIAMINE DERIVATIVES AS COUPLING COMPONENTS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-06-22 EP claimed
WO-2004031164-A1 HAIR DYES COMPRISING M-PHENYLENEDIAMINE DERIVATIVES AS COUPLING COMPONENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-04-15 WO claimed
US-20250282736-A1 SMALL MOLECULE MODULATORS OF HUMAN PREGNANE X RECEPTOR ST JUDE CHILDRENS RES HOSPITAL (US) 2025-09-11 US disclosed
US-12358869-B2 Diarylureas as CB1 allosteric modulators RESEARCH TRIANGLE INSTITUTE 2025-07-15 US disclosed
EP-3623398-B1 RESIN COMPOSITION COMPRISING A MODIFIED BLOCK COPOLYMER AND METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER ASAHI CHEMICAL IND (JP) 2024-08-28 EP disclosed
CN-115611860-B Method for synthesizing nilaparib 上海博璞诺科技发展有限公司 2024-06-11 CN disclosed
WO-2023205344-A1 SMALL MOLECULE MODULATORS OF HUMAN PREGNANE X RECEPTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2023-10-26 WO disclosed
WO-2023205344-A1 SMALL MOLECULE MODULATORS OF HUMAN PREGNANE X RECEPTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2023-10-26 WO disclosed
CN-111333544-B Intermediate for synthesizing nilapanib and preparation method thereof 上海博璞诺科技发展有限公司 2023-02-21 CN disclosed
CN-115611860-A Method for synthesizing nilapanib 上海博璞诺科技发展有限公司 2023-01-17 CN disclosed
WO-2004031164-A1 HAIR DYES COMPRISING M-PHENYLENEDIAMINE DERIVATIVES AS COUPLING COMPONENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-04-15 WO disclosed
US-6710044-B2 Technical field NEUROSEARCH A/S (DK) 2004-03-23 US disclosed
US-20030166638-A1 Benzimidazole's used as aminobutyric acid receptor modulators, for prophylaxis of nervous system disorders such as anxiety, sleep disorders, epilepsia or convulsions NEUROSEARCH A/S 2003-09-04 US disclosed
US-6503925-B1 Treating anxiety, anesthesia, and epilepsy NEUROSEARCH A/S (DK) 2003-01-07 US disclosed
US-6218547-B1 1-phenyl-benzimidazole compounds and their use as GABA-a receptor modulators NEUROSEARCH A/S (DK) 2001-04-17 US disclosed
EP-0934281-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1999-08-11 EP disclosed
WO-1998017651-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA-A RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1998-04-30 WO disclosed
US-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 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 (3 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-20030166638-A1 Benzimidazole's used as aminobutyric acid receptor modulators, for prophylaxis of nervous system disorders such as anxiety, sleep disorders, epilepsia or convulsions GABRA1, GABRA2, GABRA4 ADRA2C 82/4885ALDH1A1 192/4885MAPT 512/4885
US-12358869-B2 Diarylureas as CB1 allosteric modulators CNR1, CNR2, GPR18 ADRA2C 139/4885ALDH1A1 2918/4885MAPT 2523/4885
US-20250282736-A1 SMALL MOLECULE MODULATORS OF HUMAN PREGNANE X RECEPTOR NR1H4, NR1I2, NR1I3 ADRA2C 502/4885ALDH1A1 3469/4885MAPT 3783/4885

“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.