SCHEMBL16632474

SCHEMBL16632474

Ic1ccccc1C(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
CFTR P13569 1/20 0.37
GOPC Q9HD26 1/20 0.37
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36
TSHR P16473 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
ATM Q13315 1/20 0.34
CYP2C9 P11712 2/20 0.34
MEN1 O00255 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
SCHEMBL16632702 0.95 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KMT2AALDH1A1
Diethylamine SCHEMBL10776339 0.84 HTT (0.40) SLC6A2SLC6A4SLC6A3KMT2AL3MBTL1
SCHEMBL4088437 0.84 TAAR1 (0.33) SLC6A2SLC6A4SLC6A3TAAR1IDO1
SCHEMBL16632830 0.83 IDO1 (0.44) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL10779981 0.83 MEN1 (0.44) KMT2AGAATDP1MEN1MAPT
SCHEMBL28888535 0.82 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3KMT2AALDH1A1
SCHEMBL24550469 0.81 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KMT2AALDH1A1
SCHEMBL10778821 0.80 HPGD (0.53) SLC6A2KMT2AALDH1A1GAATDP1
SCHEMBL19265845 0.80 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3KMT2AALDH1A1
SCHEMBL6558634 0.78 SLC2A1 (0.46) KMT2AALDH1A1GAATDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815694-B2 Catalytic ammonia synthesis by transition metal molecular complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-11-14 US disclosed
US-9815694-B2 Catalytic ammonia synthesis by transition metal molecular complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-11-14 US disclosed
US-9815694-B2 Catalytic ammonia synthesis by transition metal molecular complexes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-11-14 US disclosed
US-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-9257538-B2 Fin-type field effect transistor and manufacturing method thereof SEMICONDUCTOR MANUFACTURING INTERNATIONAL (SHANGHAI) CORPORATION (CN) 2016-02-09 US disclosed
US-20150102393-A1 FIN-TYPE FIELD EFFECT TRANSISTOR AND MANUFACTURING METHOD THEREOF SEMICONDUCTOR MANUFACTURING INTERNATIONAL (SHANGHAI) CORPORATION (CN) 2015-04-16 US disclosed
US-20150104371-A1 CATALYTIC AMMONIA SYNTHESIS BY TRANSITION METAL MOLECULAR COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY 2015-04-16 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
US-20150104371-A1 CATALYTIC AMMONIA SYNTHESIS BY TRANSITION METAL MOLECULAR COMPLEXES CALIFORNIA INSTITUTE OF TECHNOLOGY 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 SLC6A2 3227/4885SLC6A4 4266/4885SLC6A3 3639/4885

“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.