SCHEMBL25973229

SCHEMBL25973229

CNc1ccc2ccc(NC)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.47
CYP1A2 P05177 3/20 0.41
TSHR P16473 1/20 0.41
CYP2A6 P11509 1/20 0.41
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 4/20 0.41
CYP3A4 P08684 3/20 0.41
HIF1A Q16665 3/20 0.41
HPGD P15428 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPT P10636 1/20 0.40
APP P05067 1/20 0.37
RECQL P46063 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA12 O43570 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL8156941 0.91 EGFR (0.48) EGFRCYP1A2TSHRCYP2A6ALDH1A1
SCHEMBL8295486 0.88 CYP2A6 (0.64) EGFRCYP1A2TSHRCYP2A6ALDH1A1
SCHEMBL761018 0.87 ALDH1A1 (0.58) CYP1A2TSHRCYP2A6ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL27634827 0.86 CYP2A6 (0.61) EGFRCYP1A2TSHRCYP2A6ALDH1A1
SCHEMBL27937785 0.86 EGFR (0.39) EGFRCYP1A2TSHRCYP2A6ALDH1A1
SCHEMBL27937802 0.86 CYP1A2 (0.48) EGFRCYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL29242571 0.86 ALDH1A1 (0.48) EGFRCYP2A6ALDH1A1HSD17B10CYP3A4
SCHEMBL27919190 0.86 CYP2A6 (0.48) EGFRCYP2A6ALDH1A1MAPTAPP
SCHEMBL27937998 0.86 APP (0.49) EGFRCYP1A2TSHRALDH1A1HSD17B10
SCHEMBL6759670 0.85 ALDH1A1 (0.50) EGFRCYP1A2TSHRCYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303503-A1 CELL ACTIVATABLE IRON CHELATORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-09-28 US disclosed
US-20230250048-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-10 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-20230250048-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC DEVICE NOS1, NOM1, NCF1 EGFR 545/4885CYP1A2 1640/4885TSHR 4341/4885
US-20230303503-A1 CELL ACTIVATABLE IRON CHELATORS TFRC, SLC40A1, FECH EGFR 2957/4885CYP1A2 1918/4885TSHR 1703/4885

“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.