SCHEMBL5799206

SCHEMBL5799206

O=C(NC1=CCC(=NN2CCCC2)C=C1)C(NC(=S)Nc1ccc(Br)cn1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
MAPT P10636 5/20 0.38
POLB P06746 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 3/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
EP300 Q09472 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CDK5 Q00535 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
SCHEMBL5803016 0.88 FPR2 (0.42) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5801609 0.88 FPR2 (0.42) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5800502 0.87 FPR2 (0.41) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5803484 0.87 FPR2 (0.41) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5803410 0.86 FPR2 (0.42) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL5800343 0.85 CA1 (0.33)
SCHEMBL5802230 0.84 ALDH1A1 (0.43) ALDH1A1MAPTPOLBSMN1; SMN2LMNA
SCHEMBL5816679 0.84 ALDH1A1 (0.36) ALDH1A1MAPTPOLBLMNAMEN1
SCHEMBL5801664 0.82 ULK1 (0.37) ALDH1A1MAPTSMN1; SMN2LMNAMEN1
SCHEMBL5801653 0.81 CA1 (0.40) ALDH1A1MAPTSMN1; SMN2LMNAMEN1

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 2 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 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 633/4885MAPT 3704/4885POLB 2726/4885

“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.