SCHEMBL3540396

SCHEMBL3540396

Fc1ccc2c(c1)[CH]CCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.39
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 1/20 0.34
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
ADRA2A P08913 1/20 0.34
KMT2A Q03164 2/20 0.33
TYMS P04818 2/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
ACHE P22303 1/20 0.31
NPY5R Q15761 1/20 0.31
CHRM2 P08172 1/20 0.30

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
SCHEMBL2285134 0.87 PARP1 (0.36) KDM1APARP1PARP10ADRA2AKMT2A
SCHEMBL19926341 0.83 KDM1A (0.35) KDM1APARP1PARP10NPC1RAB9A
SCHEMBL5713754 0.75 PNMT (0.37) KDM1APARP1PARP10ADRA2ATYMS
SCHEMBL1451509 0.75 MAOA (0.40) CHRM2
SCHEMBL17288542 0.75 ALDH1A1 (0.39) PARP1PARP10NPC1RAB9ATYMS
SCHEMBL17289091 0.75 PARP1 (0.39) PARP1PARP10HTR2AHTR2C
SCHEMBL30344009 0.71 KDM1A (0.37) KDM1APARP1PARP10ADRA2AHTR2A
SCHEMBL17288674 0.71 KDM4E (0.36) SMN1; SMN2HTT
SCHEMBL17288927 0.71 TRPV1 (0.41) NPC1RAB9ANFKB1SMN1; SMN2TP53
SCHEMBL17288417 0.71 PNMT (0.43) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11198685-B2 Substituted ureas and methods of making and using same MEBIAS DISCOVERY, INC. (US) 2021-12-14 US claimed
US-20200308155-A1 Substituted Ureas and Methods of Making and Using Same MEBIAS DISCOVERY, INC. 2020-10-01 US claimed
EP-3506983-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME Mebias Discovery LLC (US) 2019-07-10 EP claimed
US-20190194178-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME MEBIAS DISCOVERY LLC 2019-06-27 US claimed
WO-2018045229-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME MEBIAS DISCOVERY LLC (US) 2018-03-08 WO claimed
CN-109843379-B Substituted ureas and methods of making and using the same 梅比斯发现公司 2022-12-30 CN disclosed
US-20200331904-A1 3-AMINO-[1,2,4]-TRIAZOLE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-10-22 US disclosed
EP-3506983-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME Mebias Discovery LLC (US) 2019-07-10 EP disclosed
US-20190194178-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME MEBIAS DISCOVERY LLC 2019-06-27 US disclosed
WO-2018045229-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME MEBIAS DISCOVERY LLC (US) 2018-03-08 WO disclosed
US-7737167-B2 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2010-06-15 US disclosed
EP-1776348-B1 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH AS (DK) 2008-05-28 EP disclosed
US-20070197618-A1 Novel 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels NEUROSEARCH A/S (DK) 2007-08-23 US disclosed
EP-1776348-A2 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 2007-04-25 EP disclosed
WO-2006013210-A2 2-AMINO BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF SMALL-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS NEUROSEARCH A/S (DK) 2006-02-09 WO 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 (5 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-20200331904-A1 3-AMINO-[1,2,4]-TRIAZOLE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH NAT1, AGXT, CYP4Z1 KDM1A 1191/4885PARP1 4110/4885PARP10 4260/4885
US-20190194178-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME UMPS, METTL3, UTS2R KDM1A 560/4885PARP1 2953/4885PARP10 2638/4885
US-11198685-B2 Substituted ureas and methods of making and using same UMPS, METTL3, UTS2R KDM1A 560/4885PARP1 2953/4885PARP10 2638/4885
US-20200308155-A1 Substituted Ureas and Methods of Making and Using Same UMPS, METTL3, UTS2R KDM1A 560/4885PARP1 2953/4885PARP10 2638/4885
US-20070197618-A1 Novel 2-amino benzimidazole derivatives and their use as modulators of small-conductance calcium-activated potassium channels KCNN2, KCNN1, KCNN3 KDM1A 571/4885PARP1 3094/4885PARP10 1240/4885

“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.