SCHEMBL14749136

SCHEMBL14749136

COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.76
▸ MEN1 O00255 8/20 0.76
▸ KMT2A Q03164 8/20 0.76
▸ POLB P06746 8/20 0.76
▸ USP2 O75604 2/20 0.76
▸ TNNI3 P19429 1/20 0.76
▸ TNNT2 P45379 1/20 0.76
▸ RECQL P46063 1/20 0.76
▸ TNNC1 P63316 1/20 0.76
▸ MCOLN3 Q8TDD5 1/20 0.76
▸ SMN1; SMN2 Q16637 5/20 0.71
▸ KDM4E B2RXH2 5/20 0.71
▸ ALDH1A1 P00352 4/20 0.71
▸ NPSR1 Q6W5P4 3/20 0.71
▸ RAB9A P51151 4/20 0.70
▸ NPC1 O15118 2/20 0.70
▸ PKM P14618 1/20 0.67
▸ CDC7 O00311 1/20 0.66
▸ PLK4 O00444 1/20 0.66
▸ CHEK1 O14757 1/20 0.66

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
SCHEMBL14476502 0.90 MAPT (0.86) MAPTMEN1KMT2APOLBUSP2
SCHEMBL5594542 0.86 MAPT (1.00) MAPTMEN1KMT2APOLBUSP2
SCHEMBL12351294 0.86 MAPT (0.83) MAPTMEN1KMT2APOLBUSP2
SCHEMBL10476363 0.82 MEN1 (1.00) MAPTMEN1KMT2APOLBUSP2
SCHEMBL17799202 0.82 MAPT (0.76) MAPTMEN1KMT2APOLBUSP2
SCHEMBL17799204 0.82 MAPT (0.76) MAPTMEN1KMT2APOLBUSP2
SCHEMBL10476364 0.78 MAPT (0.82) MAPTMEN1KMT2APOLBUSP2
SCHEMBL10476385 0.78 KMT2A (0.73) MAPTMEN1KMT2APOLBUSP2
SCHEMBL10476383 0.78 KMT2A (0.73) MAPTMEN1KMT2APOLBUSP2
SCHEMBL27983596 0.78 MAPT (0.78) MAPTMEN1KMT2APOLBUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180100166-A1 Compositions and Methods for Enhancing Bioenergetic Status in Female Germ Cells PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-04-12 — — US disclosed
US-20180085383-A1 SMALL MOLECULE CD38 INHIBITORS AND METHODS OF USING SAME MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2018-03-29 — — US disclosed
US-9845482-B2 Compositions and methods for enhancing bioenergetic status in female germ cells THE GENERAL HOSPITAL CORPORATION (US) 2017-12-19 — — US disclosed
US-20160024527-A1 Compositions and Methods for Enhancing Bioenergetic Status in Female Germ Cells PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-01-28 — — US disclosed
US-20140221319-A1 Small Molecule CD38 Inhibitors and Methods of Using Same MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2014-08-07 — — US disclosed
US-20130059384-A1 COMPOSITIONS AND METHODS FOR ENHANCING BIOENERGETIC STATUS IN FEMALE GERM CELLS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-03-07 — — 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 (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-20140221319-A1 Small Molecule CD38 Inhibitors and Methods of Using Same CD38, CD22, CD2 MAPT 3783/4885MEN1 2938/4885KMT2A 1089/4885
US-20180100166-A1 Compositions and Methods for Enhancing Bioenergetic Status in Female Germ Cells PCK2, GSR, TFAM MAPT 4110/4885MEN1 4369/4885KMT2A 2889/4885
US-20130059384-A1 COMPOSITIONS AND METHODS FOR ENHANCING BIOENERGETIC STATUS IN FEMALE GERM CELLS PCK2, GSR, TFAM MAPT 4110/4885MEN1 4369/4885KMT2A 2889/4885
US-20160024527-A1 Compositions and Methods for Enhancing Bioenergetic Status in Female Germ Cells PCK2, GSR, TFAM MAPT 4110/4885MEN1 4369/4885KMT2A 2889/4885
US-20180085383-A1 SMALL MOLECULE CD38 INHIBITORS AND METHODS OF USING SAME CD38, BCL6B, DNASE1L3 MAPT 3326/4885MEN1 3469/4885KMT2A 1199/4885

“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.

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