SCHEMBL4440966

SCHEMBL4440966

O=C(O)n1c(CCl)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
APEX1 P27695 1/20 0.48
HTT P42858 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
LMNA P02545 4/20 0.46
KDM4E B2RXH2 1/20 0.46
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
ASAH1 Q13510 1/20 0.43

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
SCHEMBL20532645 0.87 HDAC6 (0.49) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6095318 0.85 CYP1A2 (0.62) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6126109 0.83 TSHR (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2794427 0.83 APEX1 (0.51) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL14499768 0.80 GAA (0.57) KMT2AMEN1NPC1RAB9ATSHR
SCHEMBL4552217 0.78 TBXA2R (0.48)
SCHEMBL9791257 0.78 NPC1 (0.62) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL368032 0.78 CYP1A2 (0.45) KMT2AMEN1TSHRMAPK1HDAC6
SCHEMBL6733842 0.77 SMN1; SMN2 (0.53) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL29145181 0.77 CNR2 (0.49) KMT2AMEN1TSHRMAPK1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003384-A Synthesis method of dabigatran etexilate important intermediate 宿迁盛基医药科技有限公司 2023-04-25 CN disclosed
CN-103570683-B Polysubstituted aminated compounds and its preparation method and application 中国科学院上海药物研究所 2018-04-17 CN disclosed
EP-2134686-A1 PIPERIDINONES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2009-12-23 EP disclosed
WO-2008110793-A1 PIPERIDINONES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-09-18 WO disclosed
US-20060142365-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-06-29 US disclosed
US-7030150-B2 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2006-04-18 US disclosed
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof TRIMERIS, INC. 2003-06-26 US disclosed
WO-2002092575-A1 BENZIMIDAZOLE COMPOUNDS AND ANTIVIRAL USES THEREOF TRIMERIS, INC. (US) 2002-11-21 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 (2 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-20060142365-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 KMT2A 1041/4885MEN1 4444/4885NPC1 1050/4885
US-20030119754-A1 Benzimidazole compounds and antiviral uses thereof MAVS, ZC3HAV1, TIMM13 KMT2A 1041/4885MEN1 4444/4885NPC1 1050/4885

“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.