SCHEMBL3603921

SCHEMBL3603921

NCc1nc(-c2ccc3c(c2)CCC(=O)N3)c(Cl)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ NPC1 O15118 1/20 0.46
▸ MMP12 P39900 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ PDE3B Q13370 4/20 0.45
▸ PDE3A Q14432 4/20 0.45
▸ CYP11B1 P15538 3/20 0.45
▸ CYP11B2 P19099 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ TBXAS1 P24557 2/20 0.45
▸ KIF11 P52732 1/20 0.45
▸ KDM5B Q9UGL1 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2B6 P20813 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL3599219 0.77 CACNA1H (0.39) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL1196762 0.76 F11 (0.52) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL1196761 0.76 F11 (0.52) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL18122060 0.73 MAPT (0.60) MAPTALDH1A1POLBHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL18114121 0.72 MAPT (0.59) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL3307966 0.70 KIF11 (0.68) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL3467770 0.69 KIF11 (0.61) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL24726083 0.69 MAPT (0.54) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL14778457 0.69 CYP11B1 (0.62) MAPTALDH1A1POLBHTTSMN1; SMN2
SCHEMBL2037485 0.69 MAOA (0.51) MAPTALDH1A1POLBHTTSMN1; SMN2

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
EP-2102189-B1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-07-29 — — EP disclosed
US-8410155-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-02 — — US disclosed
US-20100016316-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-21 — — US disclosed
EP-2102189-A2 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2009-09-23 — — EP disclosed
WO-2008076805-A2 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-26 — — 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-20100016316-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS F12, TFPI, F11 MAPT 1192/4885ALDH1A1 2528/4885POLB 3924/4885

“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.

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