SCHEMBL5633792

SCHEMBL5633792

O=C(Sc1ccccn1)Sc1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.56
EHMT1 Q9H9B1 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
ALDH1A1 P00352 6/20 0.52
KMT2A Q03164 2/20 0.47
PKM P14618 2/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
NAPRT Q6XQN6 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
HPGD P15428 4/20 0.45
RAB9A P51151 4/20 0.45
HSD17B10 Q99714 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45

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
SCHEMBL3075428 0.86 EHMT2 (0.56) EHMT2EHMT1APOBEC3GALDH1A1KMT2A
SCHEMBL1479297 0.84 ALDH1A1 (0.55) EHMT2EHMT1APOBEC3GALDH1A1KMT2A
SCHEMBL3125142 0.83 EHMT2 (0.52) EHMT2EHMT1APOBEC3GALDH1A1KMT2A
SCHEMBL3070731 0.83 EHMT2 (0.52) EHMT2EHMT1APOBEC3GALDH1A1KMT2A
SCHEMBL4757038 0.83 EHMT2 (0.52) EHMT2EHMT1APOBEC3GALDH1A1KMT2A
SCHEMBL4483430 0.79 ALDH1A1 (0.54) EHMT2EHMT1APOBEC3GALDH1A1KMT2A
SCHEMBL31289372 0.78
SCHEMBL1607377 0.78 LMNA (0.51) EHMT2EHMT1APOBEC3GALDH1A1KMT2A
SCHEMBL14524405 0.78 EHMT2 (0.47) EHMT2EHMT1APOBEC3GALDH1A1KMT2A
SCHEMBL464425 0.78 HPGD (0.49) EHMT2EHMT1APOBEC3GALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200095223-A1 NOVEL TRIAZOLETHIONE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-03-26 US disclosed
US-20200045967-A1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-02-13 US disclosed
WO-2020020816-A1 NOVEL TRIAZOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2020-01-30 WO disclosed
US-20200029563-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2020-01-30 US disclosed
US-20200031778-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-30 US disclosed
US-20190281828-A1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-09-19 US disclosed
EP-3519389-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2019-08-07 EP disclosed
EP-3515907-A1 NOVEL TRIAZOLE DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2019-07-31 EP disclosed
EP-3515906-A1 NOVEL TRIAZOLE DERIVATIVES AND THEIR USE AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2019-07-31 EP disclosed
US-20190211002-A1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-07-11 US disclosed
EP-3334718-A1 TRIAZOLE DERIVATIVES, INTERMEDIATES THEREOF AND THEIR USE AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2018-06-20 EP disclosed
WO-2018060091-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-05 WO disclosed
WO-2018054832-A1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-29 WO disclosed
WO-2018054829-A1 NOVEL TRIAZOLE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-29 WO disclosed
WO-2017029179-A1 TRIAZOLE DERIVATIVES, INTERMEDIATES THEREOF AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-02-23 WO disclosed
CN-101638374-A Oxime compound and resist composition containing the same SUMITOMO CHEMICAL CO JP 2010-02-03 CN disclosed
US-7161015-B1 Method of making 2-furylalkylketones THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2007-01-09 US disclosed
EP-0480939-A1 HETEROCYCLIC AMINES HAVING CENTRAL NERVOUS SYSTEM ACTIVITY. UPJOHN CO (US) 1992-04-22 EP disclosed
US-4427683-A Antiinflammatory 2'-pyridyl-1'-oxide carbothiolate and carbodithioate compounds SDS BIOTECH CORPORATION (US) 1984-01-24 US disclosed
EP-0089661-A1 Antiinflammatory 2'-pyridyl-1'-oxide carbothiolate and carbodithioate compounds SDS BIOTECH CORPORATION (US) 1983-09-28 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 (6 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-20190281828-A1 NOVEL TRIAZOLE DERIVATIVES CBR3, TH, PADI1 EHMT2 1528/4885EHMT1 1155/4885APOBEC3G 1143/4885
US-20200045967-A1 NOVEL TRIAZOLE DERIVATIVES CYP51A1, ERG28, SBK3 EHMT2 3110/4885EHMT1 2819/4885APOBEC3G 1824/4885
US-20190211002-A1 NOVEL TRIAZOLE DERIVATIVES ERG28, CYP51A1, SBK3 EHMT2 2484/4885EHMT1 2067/4885APOBEC3G 1163/4885
US-20200031778-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYL DERIVATIVES IPMK, PIP5K1B, PIP5K1C EHMT2 682/4885EHMT1 569/4885APOBEC3G 2090/4885
US-20200095223-A1 NOVEL TRIAZOLETHIONE DERIVATIVES CYP51A1, SBK3, TST EHMT2 2788/4885EHMT1 2076/4885APOBEC3G 3154/4885
US-20200029563-A1 NOVEL 5-SUBSTITUTED IMIDAZOLYLMETHYLDIOXOLANE DERIVATIVES PIP5K1B, PIP5K1A, PIP5K1C EHMT2 1911/4885EHMT1 1578/4885APOBEC3G 2841/4885

“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.