SCHEMBL9058600

SCHEMBL9058600

Nc1cc2cccc3c(N)cc4cccc1c4c23

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
HPGD P15428 7/20 0.50
HSD17B10 Q99714 5/20 0.50
TSHR P16473 4/20 0.50
CYP3A4 P08684 4/20 0.50
KEAP1 Q14145 2/20 0.50
CYP1A2 P05177 4/20 0.46
ACHE P22303 2/20 0.46
ERBB2 P04626 1/20 0.46
FYN P06241 1/20 0.46
MAOA P21397 1/20 0.46
AHR P35869 1/20 0.46
HPRT1 P00492 1/20 0.46
THRB P10828 2/20 0.46
TDP1 Q9NUW8 3/20 0.46
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
NFE2L2 Q16236 1/20 0.43
KDM4E B2RXH2 4/20 0.41
KMT2A Q03164 4/20 0.41

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
SCHEMBL31298002 0.93 CYP1A2 (0.57) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL1899794 0.93 CYP1A2 (0.57) ALDH1A1HPGDHSD17B10TSHRCYP3A4
Hydrochloric Acid SCHEMBL10601009 0.91 CYP1A2 (0.55) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL24041353 0.87 TDP1 (0.46) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL30446948 0.87 CYP1A2 (0.57) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL25257742 0.87 CYP1A2 (0.57) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL16107775 0.81 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL16107888 0.81 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL24465892 0.81 ALDH1A1 (0.60) ALDH1A1HPGDHSD17B10TSHRCYP3A4
SCHEMBL22795309 0.81 TDP1 (0.44) ALDH1A1HPGDHSD17B10TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4198163-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN Tosoh Corporation (JP) 2023-06-21 EP disclosed
WO-2022034916-A1 POLYCYCLIC AROMATIC COMPOUND 学校法人関西学院 2022-02-17 WO disclosed
US-9005777-B2 Heterocyclic compound, organic light-emitting diode including the heterocyclic compound, and flat display device including the organic light-emitting diode SAMSUNG DISPLAY CO., LTD. (KR) 2015-04-14 US disclosed
US-20130099206-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE HETEROCYCLIC COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2013-04-25 US disclosed
EP-0561595-B1 Polymer scale preventive agent SHINETSU CHEMICAL CO (JP) 1996-09-11 EP disclosed
EP-0561595-A2 Polymer scale preventive agent SHIN-ETSU CHEMICAL CO., LTD. (JP) 1993-09-22 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-20130099206-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE INCLUDING THE HETEROCYCLIC COMPOUND, AND FLAT DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT-EMITTING DIODE DRD1, HTR1D, DRD4 ALDH1A1 43/4885HPGD 1296/4885HSD17B10 867/4885

“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.