SCHEMBL4768446

SCHEMBL4768446

Cc1ccc(Sc2ncccc2C(=O)Cl)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
GAA P10253 1/20 0.74
POLB P06746 1/20 0.50
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
ATM Q13315 1/20 0.46
HPGD P15428 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL31544568 1.00 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2GAAPOLBRAB9A
SCHEMBL14040985 0.86 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2GAANPC1LMNA
SCHEMBL7577192 0.86 ALDH1A1 (0.97) ALDH1A1SMN1; SMN2GAARAB9ANPC1
SCHEMBL7110016 0.86 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2GAARAB9ANPC1
SCHEMBL1514728 0.77 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2GAAPOLBRAB9A
SCHEMBL934289 0.77 KMT2A (0.56) ALDH1A1GAARAB9ANPC1HTT
SCHEMBL4452821 0.77 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2GAARAB9ANPC1
SCHEMBL5717798 0.76 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2GAAPOLBRAB9A
SCHEMBL3111830 0.75 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2GAARAB9ANPC1
SCHEMBL7108755 0.74 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2GAARAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120018406-A Fine circuit pattern diffusion inhibitor and preparation method and application method thereof 深圳市板明科技股份有限公司 2025-05-16 CN disclosed
US-7348324-B2 Cyclic amine compounds as CCR5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-25 US disclosed
EP-1886994-A1 Cyclic amine compounds as CCR5 antagonists Takeda Pharmaceutical Company Limited (JP) 2008-02-13 EP disclosed
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists TOBIRA THERAPEUTICS, INC. 2003-06-19 US disclosed
US-6562978-B1 N-(3-(4-(4-(Aminocarbonyl)benzyl)-1-piperidinyl)propyl)-N-(3, 4-dichlorophenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide or a salt thereof for treatment of AIDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-13 US disclosed
EP-1220842-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-10 EP disclosed
WO-2001025200-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-12 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 (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-20030114443-A1 Cyclic amine compounds as CCR5 antagonists CCR5, CCR1, CCR3 ALDH1A1 3228/4885SMN1; SMN2 3833/4885GAA 4215/4885

“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.