SCHEMBL4959533

SCHEMBL4959533

N=C1N=C(N)c2cc3ccccc3cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
HSD17B10 Q99714 4/20 1.00
CASP1 P29466 3/20 1.00
CASP7 P55210 3/20 1.00
HIF1A Q16665 3/20 1.00
TP53 P04637 2/20 1.00
HPGD P15428 2/20 1.00
HBB P68871 2/20 1.00
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
RECQL P46063 1/20 0.38
PDPK1 O15530 1/20 0.38
CYP3A4 P08684 2/20 0.37
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL29361271 1.00 ALDH1A1 (1.00) ALDH1A1HSD17B10CASP1CASP7HIF1A
SCHEMBL31070859 1.00 ALDH1A1 (1.00) ALDH1A1HSD17B10CASP1CASP7HIF1A
SCHEMBL5157869 0.74 ALDH1A1 (0.59) ALDH1A1HSD17B10CASP1CASP7HIF1A
SCHEMBL5155780 0.74 ALDH1A1 (0.59) ALDH1A1HSD17B10CASP1CASP7HIF1A
SCHEMBL5158602 0.69 ALDH1A1 (0.53) ALDH1A1HSD17B10CASP1CASP7HIF1A
SCHEMBL5155484 0.66 ALDH1A1 (0.49) ALDH1A1HSD17B10CASP1CASP7HIF1A
SCHEMBL1154675 0.65 ALDH1A1 (0.67) ALDH1A1HSD17B10CASP1CASP7HIF1A
SCHEMBL9042905 0.65 ALDH1A1 (0.67) ALDH1A1HSD17B10CASP1CASP7HIF1A
SCHEMBL28763536 0.65 ALDH1A1 (0.67) ALDH1A1HSD17B10CASP1CASP7HIF1A
SCHEMBL1811522 0.65 ALDH1A1 (0.67) ALDH1A1HSD17B10CASP1CASP7HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0391284-A1 Tetrazaporphin dye mixtures HOECHST CELANESE CORPORATION (US) 1990-10-10 EP claimed
EP-3965738-B1 METHOD FOR PRODUCTION OF LIPOSOMES UNIV DO MINHO (PT) 2025-08-06 EP disclosed
US-20220241203-A1 METHOD FOR PRODUCTION OF LIPOSOMES UNIVERSIDADE DO MINHO (PT) 2022-08-04 US disclosed
EP-3521378-B1 PYRIMIDOQUINAZOLINE PIGMENT, METHOD FOR MANUFACTURING PYRIMIDOQUINAZOLINE PIGMENT, AND PIGMENT COLORANT DAINICHISEIKA COLOR CHEM (JP) 2022-07-06 EP disclosed
US-11158819-B2 P-type organic semiconductor, composition, photoelectric conversion film, photoelectric conversion device, and image sensor SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-10-26 US disclosed
US-20200212317-A1 P-TYPE ORGANIC SEMICONDUCTOR, COMPOSITION, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION DEVICE, AND IMAGE SENSOR SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-07-02 US disclosed
US-10655017-B2 Pyrimidoquinazoline pigment, method for manufacturing pyrimidoquinazoline pigment, and pigment colorant DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2020-05-19 US disclosed
EP-3521378-A1 PYRIMIDOQUINAZOLINE PIGMENT, METHOD FOR MANUFACTURING PYRIMIDOQUINAZOLINE PIGMENT, AND PIGMENT COLORANT Dainichiseika Color & Chemicals Mfg. Co., Ltd. (JP) 2019-08-07 EP disclosed
US-20190233649-A1 PYRIMIDOQUINAZOLINE PIGMENT, METHOD FOR MANUFACTURING PYRIMIDOQUINAZOLINE PIGMENT, AND PIGMENT COLORANT DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2019-08-01 US disclosed
US-8119820-B2 Method of preparing sultines SILVERBROOK RESEARCH PTY LTD (AU) 2012-02-21 US disclosed
EP-0357360-B1 Naphthalocyanine derivatives, production thereof and optical recording medium using the same HITACHI CHEMICAL CO LTD (JP) 1994-06-08 EP disclosed
EP-0366440-B1 Naphthalocyanine derivatives, production thereof, optical recording medium using the same, and production thereof HITACHI CHEMICAL CO LTD (JP) 1994-06-08 EP disclosed
US-5268485-A A 1,3-diiminobenz(f)isoindoline derivative HITACHI CHEMICAL COMPANY, LTD. (JP) 1993-12-07 US disclosed
US-5214188-A Chemical intermediates for naphthalocyanine dyes HITACHI, LTD. (JP) 1993-05-25 US disclosed
EP-0296876-B1 NAPHTHALOCYANINE DERIVATIVES AND THEIR USE IN OPTICAL RECORDING MEDIUM Hitachi Chemical Co., Ltd. (JP) 1993-01-20 EP disclosed
US-5087390-A Optical light switch or lingt modulator HOECHST CELANESE CORP. (US) 1992-02-11 US disclosed
US-5075203-A Containing sulfone groups; absorbers of laser beams HITACHI CHEMICAL COMPANY, LTD. (JP) 1991-12-24 US disclosed
EP-0391284-A1 Tetrazaporphin dye mixtures HOECHST CELANESE CORPORATION (US) 1990-10-10 EP disclosed
EP-0357360-A2 Naphthalocyanine derivatives, production thereof and optical recording medium using the same Hitachi Chemical Co., Ltd. (JP) 1990-03-07 EP disclosed
EP-0296876-A2 Naphthalocyanine derivatives and their use in optical recording medium Hitachi Chemical Co., Ltd. (JP) 1988-12-28 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 (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-11158819-B2 P-type organic semiconductor, composition, photoelectric conversion film, photoelectric conversion device, and image sensor CRY1, CCNT1, TCP1 ALDH1A1 2041/4885HSD17B10 1969/4885CASP1 1610/4885
US-20200212317-A1 P-TYPE ORGANIC SEMICONDUCTOR, COMPOSITION, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION DEVICE, AND IMAGE SENSOR CRY1, CCNT1, TCP1 ALDH1A1 2041/4885HSD17B10 1969/4885CASP1 1610/4885

“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.