SCHEMBL9821944

SCHEMBL9821944

CN(C)c1c2ccccc2cc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 4/20 0.44
HIF1A Q16665 1/20 0.44
CYP1B1 Q16678 1/20 0.44
CYP1A2 P05177 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP2A6 P11509 2/20 0.43
HTR2A P28223 1/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 3/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.40
ERBB2 P04626 1/20 0.40
FYN P06241 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
AHR P35869 1/20 0.40

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
SCHEMBL12566478 0.93 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL25812222 0.85 ALDH1A1 (0.44) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL2250267 0.83 CYP1A2 (0.33) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL2252168 0.83 L3MBTL1 (0.35) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL10122736 0.81 CHEK1 (0.42) ALDH1A1HSD17B10CYP1A2L3MBTL1CYP2A6
SCHEMBL1509336 0.80 KDM4E (0.53) ALDH1A1HSD17B10HIF1ACYP1A2L3MBTL1
SCHEMBL13899999 0.79 L3MBTL1 (0.40) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL2252060 0.79 KDM4E (0.36) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL2256416 0.79 KDM4E (0.33) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2
SCHEMBL24703294 0.78 CYP1A2 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020252598-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2020-12-24 WO disclosed
EP-3141537-B1 A LABELING PRECURSOR COMPOUND AND METHOD FOR PRODUCING RADIOACTIVE FLUORINE LABELED COMPOUND USING THE SAME NIHON MEDIPHYSICS CO LTD (JP) 2018-11-07 EP disclosed
US-10081620-B2 Radioactive fluorine labeling precursor compound and method for manufacturing radioactive fluorine labeled compound using the same NIHON MEDI-PHYSICS CO., LTD. (JP) 2018-09-25 US disclosed
EP-3141537-A1 RADIOACTIVE FLUORINE LABELING PRECURSOR COMPOUND AND METHOD FOR MANUFACTURING RADIOACTIVE FLUORINE LABELED COMPOUND USING THE SAME NIHON MEDI-PHYSICS CO., LTD. (JP) 2017-03-15 EP disclosed
US-20170066748-A1 RADIOACTIVE FLUORINE LABELING PRECURSOR COMPOUND AND METHOD FOR MANUFACTURING RADIOACTIVE FLUORINE LABELED COMPOUND USING THE SAME NIHON MEDI-PHYSICS CO., LTD. (JP) 2017-03-09 US disclosed
EP-1926795-B1 NEW COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME(1) LG CHEMICAL LTD (KR) 2011-01-19 EP disclosed
US-7777043-B2 Compound, charge transporting material and organic electroluminescent element MITSUBISHI CHEMICAL CORPORATION (JP) 2010-08-17 US disclosed
US-7777043-B2 Compound, charge transporting material and organic electroluminescent element MITSUBISHI CHEMICAL CORPORATION (JP) 2010-08-17 US disclosed
EP-0221781-B1 BENZYLAMINE DERIVATIVES, PROCESS FOR PRODUCTION THEREOF, AND USE THEREOF MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-05-02 EP disclosed
US-4822822-A FUNGICIDES FOR PLANTS AND ANIMALS MITSUI TOATSU CHEMICALS, INC. (JP) 1989-04-18 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-10081620-B2 Radioactive fluorine labeling precursor compound and method for manufacturing radioactive fluorine labeled compound using the same AFF1, NPFFR1, AFF2 ALDH1A1 1100/4885HSD17B10 815/4885HIF1A 2302/4885
US-20170066748-A1 RADIOACTIVE FLUORINE LABELING PRECURSOR COMPOUND AND METHOD FOR MANUFACTURING RADIOACTIVE FLUORINE LABELED COMPOUND USING THE SAME AFF1, NPFFR1, AFF2 ALDH1A1 1100/4885HSD17B10 815/4885HIF1A 2302/4885

“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.