SCHEMBL16611199

SCHEMBL16611199

COc1nccc(Cc2ccccc2)c1NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MTNR1A P48039 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
SCHEMBL7852926 0.82 GAA (0.38) ALDH1A1MAPTCYP1A2L3MBTL1POLB
SCHEMBL7852449 0.80 HDAC6 (0.42) NPSR1L3MBTL1LMNAPOLBMTNR1A
SCHEMBL12873970 0.77 ALDH1A1 (0.44) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL16610961 0.74 LTA4H (0.41) MAPTHPGDSMN1; SMN2
SCHEMBL7849614 0.74 PDE4D (0.38) ALDH1A1MAPTTDP1L3MBTL1PDE4A
SCHEMBL6376093 0.73 KDM1A (0.50) CYP3A4CYP2C9SLC13A5
SCHEMBL8496285 0.72 AR (0.39) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL14247665 0.71 GLA (0.39) —
SCHEMBL38663835 0.71 KDM6B (0.52) ALDH1A1MAPTCYP1A2CYP3A4CYP2C19
Formic Acid SCHEMBL14247469 0.71 LIMK2 (0.34) ALDH1A1MAPTCYP1A2CYP3A4CYP2D6

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-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 — — US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 — — US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 — — US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 — — EP 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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 ALDH1A1 3511/4885MAPT 1208/4885CYP1A2 3322/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 ALDH1A1 3511/4885MAPT 1208/4885CYP1A2 3322/4885

“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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