SCHEMBL11155397

SCHEMBL11155397

CCc1ncn2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 5/20 0.40
GABRA5 P31644 2/20 0.40
ALDH1A1 P00352 6/20 0.37
MAPK1 P28482 4/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 2/20 0.33
PKM P14618 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
ALOX15 P16050 2/20 0.32
GABRG2 P18507 1/20 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
SCHEMBL11141672 0.82 DRD4 (0.38) DRD4HSD17B10MAPTSLC9A1
SCHEMBL24841998 0.81 DRD4 (0.37) DRD4GABRA5GAA
SCHEMBL9933973 0.81 DRD4 (0.40) DRD4GABRA5ALDH1A1KDM4EHPGD
SCHEMBL24501603 0.80 DRD4 (0.38) DRD4KDM4ETDP1MEN1KMT2A
SCHEMBL24656020 0.80 DRD4 (0.38) DRD4GABRA5TDP1MEN1KMT2A
SCHEMBL11166846 0.80 DRD4 (0.38) DRD4KDM4EHPGDLMNAHSD17B10
Hydrochloric Acid SCHEMBL29915606 0.79 DRD4 (0.40) DRD4TDP1ALOX15
SCHEMBL24843108 0.79 DRD4 (0.36) DRD4ALDH1A1KDM4ENPC1RAB9A
SCHEMBL25253616 0.78 DRD4 (0.39) DRD4ALDH1A1L3MBTL1TDP1MEN1
SCHEMBL25246743 0.78 SLC6A2 (0.39) DRD4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11331391-B2 Phosphonate-drug conjugates MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2022-05-17 US disclosed
US-20190030172-A1 Phosphonate-Drug Conjugates UNIVERSITY OF SOUTHERN CALIFORNIA 2019-01-31 US disclosed
WO-2017132263-A1 PHOSPHONATE-DRUG CONJUGATES SEWELL, William (US) 2017-08-03 WO disclosed
US-4396710-A Photographic recording material with metal complexable, heterocyclic azo dye AFGA-GEVAERT AKTIENGESELLSCHAFT (DE) 1983-08-02 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 (2 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-11331391-B2 Phosphonate-drug conjugates MYOC, PTAFR, MTMR1 DRD4 4853/4885GABRA5 2647/4885ALDH1A1 2272/4885
US-20190030172-A1 Phosphonate-Drug Conjugates MYOC, PTAFR, MTMR1 DRD4 4853/4885GABRA5 2647/4885ALDH1A1 2272/4885

“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.