SCHEMBL4806877

SCHEMBL4806877

COC(=O)c1cc2c(CSc3ccccc3)cn(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.39
PPARG P37231 5/20 0.38
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
PABPC1 P11940 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRB2 P47870 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35

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
SCHEMBL4799311 0.89 FSCN1 (0.39) FSCN1PPARGPTGDR2
SCHEMBL4811995 0.84 FSCN1 (0.39) FSCN1PPARGPTGDR2MAPT
SCHEMBL4802055 0.83 FSCN1 (0.38) FSCN1PPARGPTGDR2
SCHEMBL4804162 0.80 FSCN1 (0.40) FSCN1PPARGPTGDR2
SCHEMBL4808461 0.80 SMN1; SMN2 (0.47) FSCN1PPARGLMNAPTGDR2MAPT
SCHEMBL4803688 0.80 FSCN1 (0.39) FSCN1PPARGPTGDR2
SCHEMBL4804098 0.77 ALDH1A1 (0.42) FSCN1PPARGALDH1A1RAB9A
SCHEMBL5258224 0.76 DDR1 (0.36) FSCN1PPARG
SCHEMBL2943369 0.76 CNR2 (0.43) FSCN1LMNAPTGDR2GABRPGABRD
SCHEMBL2946889 0.76 FSCN1 (0.42) FSCN1PPARGPTGDR2NAE1UBA3

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-7468375-B2 Inhibitors of the HIV integrase enzyme PFIZER INC. (US) 2008-12-23 US disclosed
EP-1756103-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS Pfizer, Inc. (US) 2007-02-28 EP disclosed
US-20050277662-A1 Inhibitors of the HIV integrase enzyme AGOURON PHARMACEUTICALS, INC 2005-12-15 US disclosed
WO-2005103003-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS HIV-INTEGRASE INHIBITORS PFIZER INC. (US) 2005-11-03 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-20050277662-A1 Inhibitors of the HIV integrase enzyme IMPDH1, INTS9, TYMP FSCN1 4841/4885PPARG 4290/4885LMNA 3259/4885

“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.