SCHEMBL18624686

SCHEMBL18624686

COc1c(N)cc2cc(C)[nH]c2c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
AXL P30530 1/20 0.37
CYP2A6 P11509 1/20 0.35
KEAP1 Q14145 1/20 0.35
CYP19A1 P11511 2/20 0.35
MAP4K1 Q92918 1/20 0.33
NQO2 P16083 1/20 0.33
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBB4B P68371 2/20 0.32
TUBB3 Q13509 2/20 0.32
TUBB2A Q13885 2/20 0.32
TUBB8 Q3ZCM7 2/20 0.32
TUBA3E Q6PEY2 2/20 0.32

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
SCHEMBL13344922 0.79 KDM4E (0.58) KDM4EALDH1A1LMNAHPGDAXL
SCHEMBL12596867 0.74 KDM4E (0.45) KDM4EALDH1A1LMNAHPGDAXL
SCHEMBL15850980 0.73 AXL (0.39) KDM4EALDH1A1LMNAHPGDAXL
SCHEMBL25547290 0.72 KDM4E (0.43) KDM4EALDH1A1LMNAHPGDCYP19A1
SCHEMBL18639763 0.70 MEN1 (0.38) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9315345 0.69 ESR1 (0.41) KDM4EALDH1A1LMNAHPGDAXL
SCHEMBL18326948 0.67 CYP19A1 (0.42) KDM4EALDH1A1LMNAHPGDAXL
SCHEMBL14234928 0.67 KDM4E (0.57) KDM4EALDH1A1LMNAHPGDCYP19A1
SCHEMBL14115029 0.65 AXL (0.52) ALDH1A1HPGDAXLCYP2A6CYP19A1
SCHEMBL28796378 0.65 CYP2A6 (0.37) LMNAHPGDCYP2A6KEAP1MAP4K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170071907-A1 THIENO-INDOLE MOIETIES AND METHODS OF TREATING USING THE SAME NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-03-16 US disclosed
US-20170071907-A1 THIENO-INDOLE MOIETIES AND METHODS OF TREATING USING THE SAME NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2017-03-16 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-20170071907-A1 THIENO-INDOLE MOIETIES AND METHODS OF TREATING USING THE SAME INMT, TYMP, TOP1 KDM4E 548/4885ALDH1A1 983/4885LMNA 1940/4885

“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.