SCHEMBL2609434

SCHEMBL2609434

CC(C)c1nc2c(F)cc(F)cc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.51
MAPT P10636 8/20 0.51
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
PKM P14618 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
SMN1; SMN2 Q16637 6/20 0.47
NPC1 O15118 7/20 0.46
HPGD P15428 2/20 0.45
HTT P42858 4/20 0.44
MCL1 Q07820 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 3/20 0.39
GAA P10253 3/20 0.39
POLB P06746 2/20 0.39
THRB P10828 2/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL21160893 0.84 RAB9A (0.36) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL25465422 0.84 HSD17B10 (0.39) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL16047977 0.83 ALDH1A1 (0.35) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL20047443 0.80 ALDH1A1 (0.33) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL25465580 0.79 RAB9A (0.33) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL22672582 0.78 LMNA (0.37) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL2615996 0.76 RAB9A (0.56) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL15221573 0.75 SMN1; SMN2 (0.56) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL19783572 0.73 RAB9A (0.62) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL474219 0.72 ALDH1A1 (0.61) RAB9AMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 US disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US 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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 RAB9A 3263/4885MAPT 3475/4885ALDH1A1 1978/4885
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 RAB9A 1293/4885MAPT 4366/4885ALDH1A1 840/4885

“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.