SCHEMBL5802230

SCHEMBL5802230

O=C(NC1=CCC(=NN2CCCC2)C=C1)[C@@H](NC(=S)Nc1ccc(Br)cc1F)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 3/20 0.40
ALOX12 P18054 3/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 3/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ULK1 O75385 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
FPR2 P25090 1/20 0.35
CNR1 P21554 1/20 0.34

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
SCHEMBL5816679 0.90 ALDH1A1 (0.36) ALDH1A1L3MBTL1LMNAALOX12MAPT
SCHEMBL5801664 0.90 ULK1 (0.37) ALDH1A1L3MBTL1LMNASMN1; SMN2ALOX12
SCHEMBL5799567 0.88 ULK1 (0.34) ALDH1A1L3MBTL1ULK1
SCHEMBL5801609 0.87 FPR2 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5803016 0.87 FPR2 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5800502 0.86 FPR2 (0.41) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5803484 0.86 FPR2 (0.41) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5800343 0.85 CA1 (0.33) ULK1FPR2
SCHEMBL5803410 0.85 FPR2 (0.42) ALDH1A1RAB9AMAPTKMT2AMEN1
SCHEMBL5799206 0.84 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160790-A1 Thioureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US claimed
WO-2006063293-A2 THIOUREAS AS FACTOR Xa INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO claimed
US-20060160790-A1 Thioureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006063293-A2 THIOUREAS AS FACTOR Xa INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 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-20060160790-A1 Thioureas as factor Xa inhibitors TFPI, TFPI2, F12 ALDH1A1 633/4885L3MBTL1 2143/4885LMNA 3071/4885

“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.