SCHEMBL3218707

SCHEMBL3218707

N=C1NC(=N)c2cc3ccccc3cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 4/20 0.43
TP53 P04637 3/20 0.43
HPGD P15428 3/20 0.43
CASP1 P29466 3/20 0.43
CASP7 P55210 3/20 0.43
HIF1A Q16665 2/20 0.43
HBB P68871 1/20 0.43
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 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
SCHEMBL3229744 0.95 ALDH1A1 (0.41) ALDH1A1HSD17B10TP53HPGDCASP1
SCHEMBL66860 0.77 GSK3B (0.43) ALDH1A1HSD17B10TP53HPGDCASP1
SCHEMBL11584650 0.75 BACE1 (0.42) ALDH1A1HSD17B10HPGDMAPK1LMNA
SCHEMBL9335445 0.75 NPC1 (0.47) ALDH1A1HSD17B10TP53HPGDMAPK1
SCHEMBL9634019 0.75 CYP2A6 (0.46) TP53KMT2AKDM4ECYP2A6NOX1
SCHEMBL7583854 0.75 CYP2A6 (0.46) ALDH1A1MEN1KMT2AMAPTKDM4E
Hydrochloric Acid SCHEMBL18663465 0.75 GSK3B (0.41) ALDH1A1HSD17B10TP53HPGDCASP1
SCHEMBL27214951 0.73 LTA4H (0.42) TSHRKMT2AALOX12GAALMNA
SCHEMBL1811522 0.73 ALDH1A1 (0.67) ALDH1A1HSD17B10TP53HPGDCASP1
SCHEMBL9042905 0.73 ALDH1A1 (0.67) ALDH1A1HSD17B10TP53HPGDCASP1

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 115 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0391415-B1 Naphthalocyanine compounds and production thereof ORIENT CHEMICAL IND (JP) 1995-03-29 EP claimed
US-5268485-A A 1,3-diiminobenz(f)isoindoline derivative HITACHI CHEMICAL COMPANY, LTD. (JP) 1993-12-07 US claimed
EP-0391284-A1 Tetrazaporphin dye mixtures HOECHST CELANESE CORPORATION (US) 1990-10-10 EP claimed
JP-1011891-A None JP disclosed
JP-3265665-A None JP disclosed
JP-3182563-A None JP disclosed
JP-3265664-A None JP disclosed
JP-1011892-A None JP disclosed
US-12559784-B2 In chemico test for toxicity LEBRUN LABS LLC (US) 2026-02-24 US disclosed
US-12521367-B2 Related formulations and methods related to eye irritation LEBRUN LABS LLC (US) 2026-01-13 US disclosed
US-20250369032-A1 IN CHEMICO TEST FOR TOXICITY LEBRUN LABS LLC (US) 2025-12-04 US disclosed
US-4842970-A HIGH SENSITIVITY TO LONG WAVELENGTHS HITACHI CHEMICAL CO., LTD. (JP) 1989-06-27 US disclosed
JP-S6411891-A OPTICAL INFORMATION RECORDING MEDIUM KAO CORP 1989-01-17 JP disclosed
JP-S6411892-A OPTICAL INFORMATION RECORDING MEDIUM KAO CORP 1989-01-17 JP disclosed
EP-0296876-A2 Naphthalocyanine derivatives and their use in optical recording medium Hitachi Chemical Co., Ltd. (JP) 1988-12-28 EP disclosed
EP-0288876-A2 Electrophotographic plate Hitachi Chemical Co., Ltd. (JP) 1988-11-02 EP disclosed
EP-0277039-A2 Electrophotograhic plate by use of metal naphthalocyanine derivative Hitachi Chemical Co., Ltd. (JP) 1988-08-03 EP disclosed
US-4749637-A SENSITIVE TO LONGER WAVELENGTH LIGHT HITACHI CHEMICAL CO., LTD. (JP) 1988-06-07 US disclosed
EP-0254553-A2 Optical recording medium HITACHI CHEMICAL COMPANY, LTD. (JP) 1988-01-27 EP disclosed
EP-0243205-A1 Electrophotographic plate Hitachi Chemical Co., Ltd. (JP) 1987-10-28 EP 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-12559784-B2 In chemico test for toxicity ALPP, ALPI, CUTA ALDH1A1 274/4885HSD17B10 1611/4885TP53 2462/4885

“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.