SCHEMBL315256

SCHEMBL315256

COc1ccc2n[c]ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.51
NQO1 P15559 1/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
NQO2 P16083 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EGFR P00533 1/20 0.46
CYP1A2 P05177 7/20 0.44
CYP1A1 P04798 6/20 0.44
CYP1B1 Q16678 6/20 0.44
CYP2A6 P11509 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL3384607 0.85 ALDH1A1 (0.47) NCF1NQO1ALDH1A1KDM4EMEN1
SCHEMBL10935659 0.81 KMT2A (0.45) NCF1NQO1ALDH1A1KDM4EMEN1
SCHEMBL16288114 0.77 NPC1 (0.45) NPC1LMNARAB9ASMN1; SMN2CYP1A2
SCHEMBL4373329 0.76 PDGFRB (0.50) ALDH1A1KDM4ENQO2SMN1; SMN2EGFR
SCHEMBL407633 0.75 CYP1A2 (0.55) ALDH1A1KDM4EMEN1LMNANQO2
SCHEMBL16992646 0.74 SCN9A (0.47) ALDH1A1MEN1LMNAKMT2AHDAC1
SCHEMBL16992705 0.74 GCK (0.38) ALDH1A1LMNASMN1; SMN2HDAC8HDAC6
SCHEMBL30081476 0.73 NCF1 (0.65) NCF1NQO1ALDH1A1KDM4EMEN1
SCHEMBL806266 0.73 NCF1 (0.65) NCF1NQO1ALDH1A1KDM4EMEN1
SCHEMBL4755792 0.73 ALDH1A1 (0.50) NCF1NQO1ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624937-A TREATMENT OF ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1997-04-29 US claimed
CN-113651752-A Synthesis method of 2-aroylquinoline derivative 温州大学 2021-11-16 CN disclosed
US-20200354348-A1 SEMISYNTHETIC AURONES AND METHODS OF USE THEREOF UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2020-11-12 US disclosed
EP-2952096-B1 Amide compound, an arthropod pest control agent and a method for controlling arthropod pest SUMITOMO CHEMICAL CO (JP) 2018-04-04 EP disclosed
US-9814235-B2 Method for controlling arthropod pest SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-11-14 US disclosed
EP-2415763-B1 PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING GLAUCOMA UBE INDUSTRIES (JP) 2016-01-27 EP disclosed
EP-2952096-A1 METHOD FOR CONTROLLING ARTHROPOD PEST Sumitomo Chemical Company, Limited (JP) 2015-12-09 EP disclosed
US-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-12-03 US disclosed
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-01 US disclosed
EP-2813492-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Co., Ltd (JP) 2014-12-17 EP disclosed
EP-0004466-B1 DEMETHYL MAYTANSINOIDS AND METHODS FOR PRODUCING THEM Takeda Chemical Industries, Ltd. (JP) 1982-01-27 EP disclosed
US-4307016-A FUNGICIDES, PROTOZOACIDES OR ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-12-22 US disclosed
US-4294757-A BLEACHING CELLULOSE FIBERS AND ADDITION OF ALKALI METAL POLYPHOSPHATES AND ALKALI METAL DIETHYLENETRIAMINE PENTA(METHYLENE PHOSPHONAT) TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1981-10-13 US disclosed
US-4260608-A ANTIMICROBIAL, ANTIMITOTIC, AND ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-04-07 US disclosed
US-4256746-A ANTITUMOR AGENTS; MICROBIOCIDES; MITOSIS TAKEDA CHEMICAL INDUSTRIES (JP) 1981-03-17 US disclosed
US-4248870-A MICROBIOCIDES, ANTITUMOR AGENTS, AND ANTIMITOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-02-03 US disclosed
EP-0014402-A1 Novel 20-0-acylmaytansinoids, process for their preparation and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-08-20 EP disclosed
EP-0011276-A1 Maytansinoids, their production and use Takeda Chemical Industries, Ltd. (JP) 1980-05-28 EP disclosed
EP-0010735-A1 Maytansinoids, their production and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-05-14 EP disclosed
EP-0004466-A1 Demethyl maytansinoids and methods for producing them Takeda Chemical Industries, Ltd. (JP) 1979-10-03 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 (3 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-20150344466-A1 METHOD FOR CONTROLLING ARTHROPOD PEST H1-0, H1-3, H1-2 NCF1 2579/4885NQO1 499/4885ALDH1A1 3053/4885
US-20150005348-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL RPS8, MT-CO2, ARG1 NCF1 3839/4885NQO1 2084/4885ALDH1A1 3265/4885
US-20200354348-A1 SEMISYNTHETIC AURONES AND METHODS OF USE THEREOF AURKA, CYP7A1, SLC7A1 NCF1 4164/4885NQO1 565/4885ALDH1A1 281/4885

“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.