SCHEMBL20164134

SCHEMBL20164134

O=Cc1cc(F)ccc1NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 3/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EGFR P00533 1/20 0.42
HDAC1 Q13547 2/20 0.41
ERN1 O75460 1/20 0.40
MAPT P10636 3/20 0.39
PKM P14618 2/20 0.39
POLB P06746 2/20 0.39
GAA P10253 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
SCHEMBL23771120 0.84 SMN1; SMN2 (0.47) ALDH1A1CYP2C19RAB9AHTTNPC1
SCHEMBL26617759 0.81 ERN1 (0.42) ALDH1A1CYP2C19RAB9ANPC1SMN1; SMN2
SCHEMBL16800087 0.80 ERN1 (0.52) ALDH1A1EGFRERN1MAPTPOLB
SCHEMBL15428158 0.80 L3MBTL1 (0.43) ALDH1A1CYP2C19RAB9AHTTNPC1
SCHEMBL4047337 0.80 MEN1 (0.45) ALDH1A1RAB9AHTTNPC1MAPT
SCHEMBL1721489 0.79 HTT (0.64) ALDH1A1CYP2C19RAB9AHTTNPC1
SCHEMBL28298268 0.77 ALDH1A1 (0.42) ALDH1A1CYP2C19HTTHDAC1ERN1
SCHEMBL17980719 0.76 ERN1 (0.56) ALDH1A1RAB9ANPC1SMN1; SMN2ERN1
SCHEMBL38663965 0.76 RAB9A (0.73) ALDH1A1RAB9AHTTNPC1SMN1; SMN2
SCHEMBL29954656 0.76 KCNQ4 (0.46) HTTPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3310777-B1 DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-10-09 EP disclosed
US-10160750-B2 Diamide macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-25 US disclosed
US-20180141932-A1 DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-24 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-20180141932-A1 DIAMIDE MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 ALDH1A1 4091/4885CYP2C19 785/4885RAB9A 2857/4885
US-10160750-B2 Diamide macrocycles as factor XIa inhibitors TFPI, TFPI2, F11 ALDH1A1 4091/4885CYP2C19 785/4885RAB9A 2857/4885

“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.