SCHEMBL3585579

SCHEMBL3585579

COc1ccc(-c2ncccc2C(=O)OCc2ccccc2)c(OC)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.47
TSHR P16473 3/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
POLB P06746 2/20 0.47
EGLN1 Q9GZT9 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPK1 P28482 2/20 0.39
CYP3A4 P08684 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNA5 P22460 1/20 0.38

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
SCHEMBL3595420 0.88 KDM4E (0.42) TSHRALDH1A1KDM4EMAPTHTT
SCHEMBL3578608 0.77 XDH (0.52) L3MBTL1TSHRCASP3RAB9ASENP8
SCHEMBL19654924 0.74 POLB (0.68) L3MBTL1TSHRCASP3RAB9ASENP8
SCHEMBL3575023 0.72 KDM4E (0.46) L3MBTL1TSHRPOLBALDH1A1KDM4E
SCHEMBL3586651 0.71 ALDH1A1 (0.39) TSHRPOLBALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL3590435 0.71 POLB (0.50) L3MBTL1TSHRCASP3RAB9ASENP8
SCHEMBL23520450 0.70 ALDH1A1 (0.63) L3MBTL1TSHRCASP3RAB9ASENP8
SCHEMBL20192067 0.70 POLB (0.64) L3MBTL1TSHRCASP3RAB9ASENP8
SCHEMBL22080490 0.70 PKM (0.68) L3MBTL1TSHRRAB9APOLBALDH1A1
SCHEMBL28171736 0.70 RAB9A (0.65) L3MBTL1TSHRRAB9APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 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 (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-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE XDH, NUDT1, PNPO L3MBTL1 744/4885TSHR 3147/4885CASP3 2419/4885

“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.