SCHEMBL16632405

SCHEMBL16632405

N#Cc1cc2c(Oc3ccccc3OCc3ccccc3)cccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.52
ADRB2 P07550 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
NSD2 O96028 1/20 0.44
AS3MT Q9HBK9 1/20 0.44
CTSV O60911 2/20 0.40
CTSL P07711 2/20 0.40
IMPDH2 P12268 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40

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
SCHEMBL9593980 0.92 SRD5A2 (0.60) SRD5A2ADRB2MAPTALDH1A1SMN1; SMN2
SCHEMBL16632650 0.86 RHEB (0.45) SRD5A2NSD2AS3MTSCN9A
SCHEMBL16632497 0.86 SRD5A2 (0.40) SRD5A2ADRB2MAPTALDH1A1SMN1; SMN2
SCHEMBL16632761 0.81 SRD5A2 (0.55) SRD5A2ADRB2MAPTTDP1CYP1A2
SCHEMBL16632330 0.79 RHEB (0.56) SRD5A2MAPTTDP1CTSVCTSL
SCHEMBL16632383 0.78 SRD5A2 (0.55) SRD5A2MAPTSMN1; SMN2TDP1CTSV
SCHEMBL16632523 0.74 SRD5A2 (0.67) SRD5A2ALDH1A1CYP1A2CYP2D6CTSV
SCHEMBL16632436 0.74 HTR1A (0.42) ADRB2MAPTALDH1A1SMN1; SMN2TDP1
SCHEMBL16632747 0.73 DRD4 (0.54) SRD5A2MAPTTDP1CYP1A2CYP3A4
SCHEMBL5538708 0.72 MAPT (0.63) MAPTTDP1CYP1A2CYP2C19MAPK1

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 SRD5A2 1884/4885ADRB2 3448/4885MAPT 1046/4885

“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.