SCHEMBL22893758

SCHEMBL22893758

c1ccc(-c2nc(-c3cc4ccccc4c4c3oc3ccccc34)nc(-n3c4ccccc4c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)ccc43)n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 2/20 0.31
POLB P06746 2/20 0.31
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL22893864 0.89 KDM4E (0.35) ALDH1A1TSHRPOLBHPGDKDM4E
SCHEMBL24152065 0.88 ALDH1A1 (0.38) ALDH1A1TSHRPOLBHPGDKDM4E
SCHEMBL22894005 0.88 ALDH1A1 (0.31) ALDH1A1TSHRPOLBHPGDKDM4E
SCHEMBL22893783 0.87 TSPO (0.33) TSPO
SCHEMBL22893702 0.86 ALDH1A1 (0.33) ALDH1A1TSHRPOLBHPGDKDM4E
SCHEMBL22894003 0.85
SCHEMBL22893865 0.85 ALDH1A1 (0.34) ALDH1A1TSHRPOLBHPGDKDM4E
SCHEMBL22893869 0.85 SIRT2 (0.33) ALDH1A1TSHRHPGDKDM4E
SCHEMBL24255831 0.85 ALDH1A1 (0.37) ALDH1A1TSHRPOLBHPGDKDM4E
SCHEMBL22893815 0.84 PTGES (0.34) TSPO

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-20210013411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2021-01-14 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-20210013411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 TSPO 2365/4885ALDH1A1 9/4885TSHR 4037/4885

“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.