SCHEMBL945091

SCHEMBL945091

O=C(CCl)N1CCC(c2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.54
PARP10 Q53GL7 4/20 0.52
PARP14 Q460N5 3/20 0.52
YAP1 P46937 1/20 0.50
TEAD4 Q15561 1/20 0.50
BTK Q06187 1/20 0.50
RAB9A P51151 3/20 0.49
NPC1 O15118 1/20 0.49
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL8903163 0.87 YAP1 (0.58) YAP1TEAD4RAB9ANPC1ALDH1A1
SCHEMBL19066022 0.83 ALDH1A1 (0.55) RAB9AEPHX2ALDH1A1MAPTLMNA
SCHEMBL29237000 0.78 BTK (0.45) MMP3PARP10PARP14BTKHTT
SCHEMBL8845160 0.78 NPC1 (0.74) MMP3PARP10PARP14RAB9ANPC1
SCHEMBL12916432 0.78 MAPK1 (0.59) RAB9ANPC1ALDH1A1GAAMAPT
SCHEMBL4578078 0.77 YAP1 (0.55) YAP1TEAD4EPHX2ALDH1A1CYP2C9
SCHEMBL27382202 0.76 DRD2 (0.57) RAB9AALDH1A1GAALMNA
SCHEMBL31616130 0.76 NAMPT (0.61) MMP3PARP10PARP14BTKRAB9A
SCHEMBL12041706 0.76 S1PR1 (0.69) MMP3ALDH1A1GAALMNAKMT2A
SCHEMBL28363634 0.75 NPC1 (0.65) PARP10PARP14RAB9ANPC1ALDH1A1

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
EP-2234973-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-07-02 EP disclosed
EP-2234973-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2014-07-02 EP disclosed
US-8569495-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-10-29 US disclosed
US-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2011-01-27 US disclosed
EP-2234973-A1 ANTHELMINTIC AGENTS AND THEIR USE Intervet International B.V. (NL) 2010-10-06 EP disclosed
WO-2009077527-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2009-06-25 WO disclosed
WO-2009077527-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2009-06-25 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-20110021506-A1 ANTHELMINTIC AGENTS AND THEIR USE ACHE, ABCB11, MPO MMP3 603/4885PARP10 2805/4885PARP14 2412/4885

“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.