SCHEMBL19630615

SCHEMBL19630615

O=c1ccc2nc3ccc(OCc4ccc(OC(F)F)cc4)cc3oc-2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.75
CYP1A2 P05177 1/20 0.64
MAOB P27338 3/20 0.39
NPC1 O15118 2/20 0.39
MAOA P21397 2/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
MTNR1A P48039 1/20 0.38
KMT2A Q03164 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
F2RL3 Q96RI0 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL19630613 0.90 APP (0.77) APPCYP1A2MAOBNPC1RAB9A
SCHEMBL23623803 0.89 APP (0.78) APPCYP1A2MAOBNPC1MAOA
SCHEMBL1104921 0.86 APP (1.00) APPCYP1A2NPC1RAB9AMEN1
SCHEMBL10167879 0.86 APP (0.80) APPCYP1A2MAOBNPC1MAOA
SCHEMBL18467806 0.86 APP (0.80) APPCYP1A2MAOBNPC1MAOA
SCHEMBL563335 0.85 APP (0.79) APPCYP1A2MAOBNPC1MAOA
SCHEMBL29809000 0.85 APP (0.79) APPCYP1A2MAOBNPC1MAOA
SCHEMBL10167870 0.85 APP (0.85) APPCYP1A2CA12CA1CA9
SCHEMBL19627050 0.84 APP (0.78) APPCYP1A2MAOBMAOAF2RL3
SCHEMBL26498997 0.83 APP (0.78) APPCYP1A2MAOBNPC1RAB9A

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-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
US-20170334865-A1 DDR2 INHIBITORS AND METHODS OF USING WASHINGTON UNIVERSITY (US) 2017-11-23 US disclosed
US-20170334865-A1 DDR2 INHIBITORS AND METHODS OF USING WASHINGTON UNIVERSITY (US) 2017-11-23 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 (3 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-20170334865-A1 DDR2 INHIBITORS AND METHODS OF USING DDR2, DDR1, DDRGK1 APP 3057/4885CYP1A2 4799/4885MAOB 4436/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS APP 3721/4885CYP1A2 2469/4885MAOB 225/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 APP 3490/4885CYP1A2 4154/4885MAOB 1598/4885

“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.