SCHEMBL21988536

SCHEMBL21988536

CCc1ccc(-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
HIF1A Q16665 2/20 0.43
LMNA P02545 2/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
METAP1 P53582 1/20 0.43
BLM P54132 1/20 0.43
DOHH Q9BU89 1/20 0.43
P4HTM Q9NXG6 1/20 0.43

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
SCHEMBL31400240 1.00 CYP1A2 (0.49) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL28426269 0.90 CYP1A2 (0.46) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL31211649 0.89 CYP1A2 (0.59) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL6840443 0.89 CYP1A2 (0.59) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL26210101 0.88 CYP1A2 (0.44) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL19559907 0.87 CYP1A2 (0.49) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL9228056 0.87 CCR1 (0.50) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL26553101 0.84 CYP1A2 (0.48) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL26556299 0.84 CYP1A2 (0.48) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL17834278 0.81 HRH3 (0.50) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12116378-B2 Transition metal luminescent complexes and methods of use THE UNIVERSITY OF HONG KONG (CN) 2024-10-15 US disclosed
US-20200172562-A1 TRANSITION METAL LUMINESCENT COMPLEXES AND METHODS OF USE THE UNIVERSITY OF HONG KONG (HK) 2020-06-04 US disclosed
US-20200176691-A1 TRANSITION METAL LUMINESCENT COMPLEXES AND METHODS OF USE UNIV HONG KONG (HK) 2020-06-04 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-12116378-B2 Transition metal luminescent complexes and methods of use OCIAD2, OCIAD1, OPRD1 CYP1A2 2769/4885CYP2D6 2605/4885CYP19A1 2557/4885
US-20200176691-A1 TRANSITION METAL LUMINESCENT COMPLEXES AND METHODS OF USE OCIAD2, OCIAD1, OPRD1 CYP1A2 2769/4885CYP2D6 2605/4885CYP19A1 2557/4885
US-20200172562-A1 TRANSITION METAL LUMINESCENT COMPLEXES AND METHODS OF USE OCIAD2, OCIAD1, OPRD1 CYP1A2 2769/4885CYP2D6 2605/4885CYP19A1 2557/4885

“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.