SCHEMBL3300941

SCHEMBL3300941

O=C(NCc1ccc(Cl)cc1)N(S)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.48
TMPRSS4 Q9NRS4 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
RHOC P08134 6/20 0.46
RHOA P61586 6/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL3298777 0.88 CCR2 (0.47) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL3302807 0.88 TSHR (0.47) P2RX1TMPRSS4SMN1; SMN2ALDH1A1HPGD
SCHEMBL3297438 0.88 CNR1 (0.53) SMN1; SMN2RHOCRHOAMAPTCYP2C19
SCHEMBL3300225 0.87 RORC (0.49) SMN1; SMN2ALDH1A1KMT2AHTTCYP2C19
SCHEMBL4056627 0.86 MEN1 (0.49) P2RX1TMPRSS4HPGDMEN1KMT2A
SCHEMBL4064957 0.84 LMNA (0.53) P2RX1TMPRSS4ALDH1A1RHOCRHOA
SCHEMBL3297375 0.84 TP53 (0.48) ALDH1A1MEN1KMT2AHTTHDAC3
SCHEMBL4357500 0.82 HDAC3 (0.46) P2RX1TMPRSS4MEN1KMT2AMAPT
SCHEMBL3300343 0.82 MLYCD (0.41) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL3304426 0.80 TP53 (0.55) P2RX1TMPRSS4SMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093864-A1 ANTI-INFECTIVE THIOUREA COMPOUNDS LICA PHARMACEUTICALS (DK) 2010-04-15 US claimed
EP-2074085-A2 ANTI-INFECTIVE THIOUREA COMPOUNDS Lica Pharmaceuticals A/S (DK) 2009-07-01 EP claimed
WO-2008043840-A2 ANTI-INFECTIVE THIOUREA COMPOUNDS LICA PHARMACEUTICALS (DK) 2008-04-17 WO claimed
US-20100093864-A1 ANTI-INFECTIVE THIOUREA COMPOUNDS LICA PHARMACEUTICALS (DK) 2010-04-15 US disclosed
EP-2074085-A2 ANTI-INFECTIVE THIOUREA COMPOUNDS Lica Pharmaceuticals A/S (DK) 2009-07-01 EP disclosed
WO-2008043840-A2 ANTI-INFECTIVE THIOUREA COMPOUNDS LICA PHARMACEUTICALS (DK) 2008-04-17 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-20100093864-A1 ANTI-INFECTIVE THIOUREA COMPOUNDS TST, TPX2, TPMT P2RX1 72/4885TMPRSS4 3441/4885SMN1; SMN2 3982/4885

“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.