SCHEMBL4501943

SCHEMBL4501943

O=C(CCl)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.64
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
PLA2G1B P04054 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
GAA P10253 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C19 P33261 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
ATG4B Q9Y4P1 1/20 0.63
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
MLYCD O95822 1/20 0.60
LMNA P02545 3/20 0.59
HPGD P15428 1/20 0.59
ALDH1A1 P00352 2/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPK14 Q16539 1/20 0.54

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
SCHEMBL13884195 0.85 L3MBTL1 (0.64) L3MBTL1MEN1KMT2APLA2G1BCYP1A2
SCHEMBL15881788 0.85 L3MBTL1 (0.64) L3MBTL1MEN1KMT2APLA2G1BCYP1A2
SCHEMBL24713109 0.84 MLYCD (0.67) L3MBTL1MEN1KMT2APLA2G1BCYP1A2
SCHEMBL252486 0.84 L3MBTL1 (0.62) L3MBTL1MEN1KMT2APLA2G1BCYP1A2
SCHEMBL30661718 0.83 MLYCD (0.65) L3MBTL1MEN1KMT2APLA2G1BCYP1A2
SCHEMBL2420380 0.82 L3MBTL1 (0.68) L3MBTL1MEN1KMT2APLA2G1BCYP1A2
SCHEMBL249436 0.82 L3MBTL1 (0.61) L3MBTL1MEN1KMT2APLA2G1BCYP1A2
SCHEMBL185921 0.81 MLYCD (0.63) L3MBTL1MEN1KMT2APLA2G1BCYP1A2
SCHEMBL1052230 0.81 MLYCD (0.63) L3MBTL1MEN1KMT2APLA2G1BCYP1A2
SCHEMBL31173731 0.81 MLYCD (0.63) L3MBTL1MEN1KMT2APLA2G1BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS BAYER PHARMA AKTIENGESELLSHAFT (DE) 2013-01-03 US disclosed
US-8084481-B2 Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-27 US disclosed
US-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 US disclosed
CN-101495458-A Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER HEALTHCARE AG (DE) 2009-07-29 CN disclosed
US-4800211-A ENZYME INHIBITORS MERCK & CO., INC. (US) 1989-01-24 US 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-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors AVPR2, AVPR1A, AVPR1B L3MBTL1 4160/4885MEN1 1879/4885KMT2A 4657/4885
US-20130005704-A1 SUBSTITUTED ARYLIMIDAZOLONE AND TRIAZOLONE AS INHIBITORS OF VASOPRESSIN RECEPTORS AVPR2, AVPR1A, AVPR1B L3MBTL1 4160/4885MEN1 1879/4885KMT2A 4657/4885

“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.