SCHEMBL4829673

SCHEMBL4829673

O=C(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1cc(Br)ccc1OCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIFC1 Q9BW19 1/20 0.60
LRRK2 Q5S007 10/20 0.50
GPR34 Q9UPC5 5/20 0.49
GPR132 Q9UNW8 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL4829669 1.00 KIFC1 (0.60) KIFC1LRRK2GPR34GPR132ABCG2
SCHEMBL4831384 0.96 KIFC1 (0.64) KIFC1LRRK2GPR34GPR132ABCG2
SCHEMBL4831380 0.96 KIFC1 (0.64) KIFC1LRRK2GPR34GPR132ABCG2
SCHEMBL5926994 0.95 KIFC1 (0.62) KIFC1LRRK2GPR34GPR132ABCG2
SCHEMBL5926917 0.94 KIFC1 (0.61) KIFC1LRRK2GPR34GPR132ABCG2
SCHEMBL5927401 0.92 KIFC1 (0.60) KIFC1LRRK2GPR34GPR132
SCHEMBL4827862 0.92 ABCG2 (0.59) KIFC1LRRK2ABCG2
SCHEMBL4827858 0.92 ABCG2 (0.59) KIFC1LRRK2ABCG2
SCHEMBL8338729 0.90 KIFC1 (0.49) KIFC1LRRK2ABCG2LMNAPOLB
SCHEMBL5927554 0.88 KIFC1 (0.56) KIFC1LRRK2GPR34GPR132

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 US disclosed
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO disclosed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 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 (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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 KIFC1 4489/4885LRRK2 638/4885GPR34 4272/4885
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO KIFC1 2072/4885LRRK2 1424/4885GPR34 2331/4885

“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.