SCHEMBL4438778

SCHEMBL4438778

ClCc1ccccc1-c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2D6 P10635 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2A6 P11509 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ACP3 P15309 1/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CTNNB1 P35222 1/20 0.39
PTPN1 P18031 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALPL P05186 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL248239 0.82 CYP1A2 (0.58) CYP1A2CYP2C19CYP2C9ALDH1A1MEN1
SCHEMBL29354720 0.82 CYP1A2 (0.58) CYP1A2CYP2C19CYP2C9ALDH1A1MEN1
SCHEMBL736614 0.82 DPP4 (0.46) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL477544 0.81 PDCD1 (0.47) CYP1A2CYP2C19CYP2C9ALDH1A1MEN1
Hydrochloric Acid SCHEMBL6011728 0.80 CYP1A2 (0.56) CYP1A2CYP2C19CYP2C9ALDH1A1MEN1
SCHEMBL7275960 0.80 CYP1A2 (0.56) CYP1A2CYP2C19CYP2C9ALDH1A1MEN1
Ammonia Solution, Strong SCHEMBL5431159 0.80 CYP1A2 (0.56) CYP1A2CYP2C19CYP2C9ALDH1A1MEN1
SCHEMBL10896807 0.79 DPP4 (0.44) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL3101185 0.79 CYP1A2 (0.45) CYP1A2CYP2C19CYP2C9ALDH1A1MEN1
SCHEMBL2992860 0.79 MEN1 (0.49) CYP1A2CYP2C19CYP2C9ALDH1A1MEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836062-B Preparation method of N, N-dimethyl-1-naphthylamine compound 大连理工大学 2025-04-25 CN disclosed
CN-116874438-A One-pot method for preparing polysubstituted 1,2, 3-triazole compound 大连理工大学 2023-10-13 CN disclosed
CN-116836062-A Efficient preparation method of N, N-dimethyl-1-naphthylamine compound 大连理工大学 2023-10-03 CN disclosed
CN-101611008-A C3A receptor modulators and methods of use thereof ENCYSIVE PHARMACEUTICALS INC (US) 2009-12-23 CN disclosed
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
US-20080188528-A1 Modulators of C3a receptor and methods of use thereof ENCYSIVE PHARMACEUTICALS, INC. 2008-08-07 US disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed
US-6271385-B1 FUNGICIDES (SUCH AS THOSE FOR USE IN FARMING AND HORTICULTURE). KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
EP-1020441-A1 N-HETEROCYCLIC METHYLPROPYLAMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND GERMICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-07-19 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 (1 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-20080188528-A1 Modulators of C3a receptor and methods of use thereof C3AR1, C5, C5AR1 CYP1A2 1513/4885CYP2C19 1449/4885CYP2C9 3080/4885

“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.