SCHEMBL23948639

SCHEMBL23948639

c1ccc(-n2c3ccccc3c3c2ccc2c4ccc5c6ccccc6[nH]c5c4c4nc5ccccc5n4c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP1A1 P04798 1/20 0.40
KEAP1 Q14145 1/20 0.40
CYP1B1 Q16678 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39

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
SCHEMBL23948420 0.85 GABRP (0.36) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL23948644 0.84 TOP2A (0.37) CYP1A2CYP1A1KEAP1CYP1B1KDM4E
SCHEMBL23948640 0.83 KDM4E (0.44) CYP1A2KDM4EMAPTLMNAPOLB
SCHEMBL21890437 0.82 KDM4E (0.47) CYP1A2KDM4EMAPTLMNAPOLB
SCHEMBL16067066 0.81 CYP1A2 (0.46) CYP1A2CYP1A1KEAP1CYP1B1GABRP
SCHEMBL2741513 0.80 GABRP (0.50) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL31571478 0.80 GABRP (0.50) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL29383997 0.80 GABRP (0.50) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL23948271 0.79 GABRP (0.37) CYP1A2GABRPGABRDGABRA1GABRB1
SCHEMBL23948674 0.78 KDM4E (0.36) CYP1A2GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323963-A1 Functional Materials Based on Stable Chemical Structure ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2021-10-21 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-20210323963-A1 Functional Materials Based on Stable Chemical Structure TEAD4, TEAD2, TEAD1 CYP1A2 674/4885CYP1A1 670/4885KEAP1 2158/4885

“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.