SCHEMBL16640618

SCHEMBL16640618

Cc1cc2c(c(Oc3ccccc3OCc3ccccc3)c1)C=C(C#N)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SGMS2 Q8NHU3 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
CYP2C19 P33261 1/20 0.37
SCN9A Q15858 1/20 0.35
MAOB P27338 2/20 0.35
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ATP4A P20648 1/20 0.34
ATP4B P51164 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL16632497 0.70 SRD5A2 (0.40) MAPK1MAPTTDP1L3MBTL1SGMS2
SCHEMBL5538708 0.68 MAPT (0.63) MAPK1MAPTTDP1L3MBTL1CYP1A2
SCHEMBL7343310 0.68 ALDH1A1 (0.44) SGMS2CYP1A2ALDH1A1LMNACYP2C19
SCHEMBL16347622 0.66 MAPT (0.49) MAPK1MAPTTDP1L3MBTL1LIPE
SCHEMBL15831939 0.66 MAOB (0.56) MAPK1MAPTTDP1L3MBTL1SGMS2
SCHEMBL30461328 0.66 MAPT (0.45) MAPK1MAPTTDP1L3MBTL1MAOB
SCHEMBL16388500 0.66 MAPT (0.45) MAPK1MAPTTDP1L3MBTL1MAOB
SCHEMBL16632385 0.65 L3MBTL1 (0.44) MAPK1MAPTTDP1L3MBTL1MAOB
SCHEMBL686650 0.64 MAPT (0.58) MAPK1MAPTTDP1L3MBTL1LMNA
SCHEMBL15869787 0.64 MAPT (0.58) MAPK1MAPTTDP1L3MBTL1LMNA

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-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 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-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR MAPK1 3242/4885MAPT 1046/4885TDP1 548/4885

“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.