SCHEMBL1460148

SCHEMBL1460148

N=C(NO)c1ccc2ccccc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 4/20 0.62
▸ MGAM O43451 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.51
▸ GAA P10253 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ RAB9A P51151 4/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ NFKB1 P19838 2/20 0.49
▸ NFKB2 Q00653 2/20 0.49
▸ RELA Q04206 2/20 0.49
▸ CNR2 P34972 2/20 0.49
▸ LMNA P02545 1/20 0.47
▸ KDM4C Q9H3R0 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ TP53 P04637 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ATG4B Q9Y4P1 1/20 0.44
▸ TSHR P16473 1/20 0.44

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
SCHEMBL4903234 0.83 ALDH1A1 (0.64) HDAC8MGAMALDH1A1GAAMAPT
SCHEMBL18530693 0.77 HDAC8 (1.00) HDAC8MGAMALDH1A1GAAMAPT
SCHEMBL7010475 0.77 HDAC8 (1.00) HDAC8MGAMALDH1A1GAAMAPT
SCHEMBL23735595 0.77 HDAC8 (0.62) HDAC8MGAMALDH1A1GAAMAPT
SCHEMBL3076973 0.76 MGAM (0.57) HDAC8MGAMALDH1A1GAAMAPT
SCHEMBL2157879 0.75 HDAC1 (0.42) HDAC8RAB9ASMN1; SMN2CNR2NPC1
SCHEMBL14077911 0.75 RAB9A (0.55) HDAC8MGAMALDH1A1GAAMAPT
SCHEMBL12348294 0.74 KDM4E (0.42) HDAC8ALDH1A1GAAMAPTLMNA
Hydrochloric Acid SCHEMBL6009217 0.74 MGAM (0.55) HDAC8MGAMALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL5729637 0.74 MGAM (0.55) HDAC8MGAMALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 — — CN disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 — — CN disclosed
US-20150133495-A1 Substituted Acyloxyamidines as HCV NS3/4A Inhibitors VIROCURA THERAPEUTICS INC (CA) 2015-05-14 — — US disclosed
US-20130053396-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-02-28 — — US disclosed
EP-2480543-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS Istituto di Ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) 2012-08-01 — — EP disclosed
US-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2011-07-28 — — US disclosed
WO-2011036478-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-03-31 — — 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 (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-20130053396-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS SHH, SMO, GLI1 HDAC8 1992/4885MGAM 4779/4885ALDH1A1 876/4885
US-20150133495-A1 Substituted Acyloxyamidines as HCV NS3/4A Inhibitors EIF2AK2, GTF3C4, GTF3C1 HDAC8 1623/4885MGAM 3267/4885ALDH1A1 1619/4885
US-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS SHH, SMO, GLI1 HDAC8 2274/4885MGAM 4742/4885ALDH1A1 663/4885

“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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