SCHEMBL2120780

SCHEMBL2120780

O=C(CCl)N1CCN(c2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.66
HPGD P15428 1/20 0.66
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
LMNA P02545 7/20 0.61
MAPT P10636 5/20 0.61
ALDH1A1 P00352 3/20 0.61
POLB P06746 2/20 0.61
THRB P10828 1/20 0.61
HTT P42858 5/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
KDM4E B2RXH2 8/20 0.59
IDE P14735 1/20 0.58
ABL1 P00519 1/20 0.56
CYP3A4 P08684 1/20 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
SCHEMBL17547308 0.87 SMN1; SMN2 (0.73) SMN1; SMN2HPGDMEN1KMT2ACYP1A2
SCHEMBL26300161 0.84 SMN1; SMN2 (0.63) SMN1; SMN2HPGDMEN1KMT2ACYP1A2
SCHEMBL16803467 0.84 SMN1; SMN2 (0.62) SMN1; SMN2HPGDMEN1KMT2ACYP1A2
SCHEMBL3903304 0.83 LMNA (0.69) SMN1; SMN2HPGDMEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL26125110 0.83 SMN1; SMN2 (0.64) SMN1; SMN2HPGDMEN1KMT2ACYP1A2
SCHEMBL27077801 0.82 TIPARP (0.53) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL18711414 0.82 SMN1; SMN2 (0.70) SMN1; SMN2HPGDMEN1KMT2ACYP1A2
SCHEMBL26297007 0.82 SMN1; SMN2 (0.66) SMN1; SMN2HPGDMEN1KMT2ACYP1A2
SCHEMBL26099910 0.81 SMN1; SMN2 (0.59) SMN1; SMN2HPGDMEN1KMT2ACYP1A2
SCHEMBL23259363 0.81 ME2 (0.67) HPGDKMT2ACYP2C9ALDH1A1KDM4E

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
US-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 US disclosed
US-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 US disclosed
US-8507474-B2 Anthelmintic agents and their use INTERVET INTERNATIONAL B.V. (NL) 2013-08-13 US disclosed
EP-2443091-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2013-04-03 EP disclosed
EP-2443091-B1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INT BV (NL) 2013-04-03 EP disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 US disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 US disclosed
US-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2012-04-19 US disclosed
WO-2010146083-A1 ANTHELMINTIC AGENTS AND THEIR USE INTERVET INTERNATIONAL B.V. (NL) 2010-12-23 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-20120094981-A1 ANTHELMINTIC AGENTS AND THEIR USE ABCB11, ACHE, CMA1 SMN1; SMN2 4488/4885HPGD 445/4885MEN1 1277/4885

“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.