SCHEMBL16632436

SCHEMBL16632436

N#Cc1cc2c(Oc3ccccc3OCCn3ccc(=O)[nH]c3=O)cccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ADRB2 P07550 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DUT P33316 9/20 0.37
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL16632489 0.89 L3MBTL1 (0.38) HTR1AL3MBTL1ADRB2MAPTALDH1A1
SCHEMBL16632334 0.89 L3MBTL1 (0.45) HTR1AL3MBTL1ADRB2MAPTALDH1A1
SCHEMBL16632528 0.85 L3MBTL1 (0.43) HTR1AL3MBTL1ADRB2MAPTCYP1A2
SCHEMBL16632604 0.81 L3MBTL1 (0.42) L3MBTL1MAPTALDH1A1DUTTSHR
SCHEMBL16632606 0.80 L3MBTL1 (0.39) L3MBTL1MAPTALDH1A1DUTTSHR
SCHEMBL16632490 0.80 L3MBTL1 (0.44) HTR1AL3MBTL1MAPTDUT
SCHEMBL16632594 0.80 L3MBTL1 (0.48) L3MBTL1MAPTALDH1A1TDP1DUT
SCHEMBL16632625 0.76 L3MBTL1 (0.42) L3MBTL1DUTTSHR
SCHEMBL16632486 0.76 L3MBTL1 (0.53) L3MBTL1CYP1A2CYP2C19DUT
SCHEMBL16632701 0.75 L3MBTL1 (0.42) L3MBTL1MAPTALDH1A1DUTTSHR

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 HTR1A 4289/4885L3MBTL1 879/4885ADRB2 3448/4885

“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.