SCHEMBL16273449

SCHEMBL16273449

Nc1ccc(-c2nc3cc(Cc4ccc5[nH]c(-c6ccc(N)cc6)nc5c4)ccc3[nH]2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.78
▸ SMN1; SMN2 Q16637 10/20 0.59
▸ MAPT P10636 10/20 0.59
▸ ALDH1A1 P00352 9/20 0.59
▸ NPC1 O15118 8/20 0.59
▸ HPGD P15428 8/20 0.59
▸ KDM4E B2RXH2 7/20 0.59
▸ MEN1 O00255 7/20 0.59
▸ KMT2A Q03164 7/20 0.59
▸ RAB9A P51151 7/20 0.59
▸ HSD17B10 Q99714 6/20 0.59
▸ GAA P10253 5/20 0.59
▸ GFER P55789 4/20 0.59
▸ POLB P06746 4/20 0.59
▸ GLA P06280 4/20 0.59
▸ TP53 P04637 4/20 0.59
▸ RXFP1 Q9HBX9 2/20 0.59
▸ RECQL P46063 2/20 0.59
▸ CACNA1B Q00975 2/20 0.57
▸ APBA1 Q02410 2/20 0.57

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
SCHEMBL29386878 1.00 NT5E (0.78) NT5ESMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL21887627 0.94 NT5E (0.89) NT5ESMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL14684214 0.88 NT5E (0.61) NT5ESMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL23119357 0.88 NT5E (1.00) NT5ESMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL9862039 0.85 ALDH1A1 (0.69) NT5ESMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL30307784 0.85 ALDH1A1 (0.74) NT5ESMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL159873 0.85 ALDH1A1 (0.74) NT5ESMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL28312335 0.85 ALDH1A1 (0.74) NT5ESMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL13400661 0.84 NT5E (0.56) NT5EGAASLC2A1NPBWR1RPS6KA3
SCHEMBL1655753 0.83 MEN1 (0.73) NT5ESMN1; SMN2MAPTALDH1A1NPC1

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
US-11358960-B2 Pyrazol-3-ones that activate pro-apoptotic BAX DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-14 — — US disclosed
US-20210032234-A1 PYRAZOL-3-ONES THAT ACTIVATE PRO-APOPTOTIC BAX DANA-FARBER CANCER INSTITUTE, INC. 2021-02-04 — — US disclosed
EP-2766355-B1 PYRAZOL-3-ONES THAT ACTIVATE PRO-APOPTOTIC BAX DANA FARBER CANCER INST INC (US) 2020-12-23 — — EP disclosed
US-10844053-B2 Pyrazol-3-ones that activate pro-apoptotic BAX DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-11-24 — — US disclosed
US-20190315730-A1 PYRAZOL-3-ONES THAT ACTIVATE PRO-APOPTOTIC BAX DANA-FARBER CANCER INSTITUTE, INC. 2019-10-17 — — US disclosed
US-9303024-B2 Pyrazol-3-ones that activate pro-apoptotic BAX DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-04-05 — — US disclosed
US-20140357687-A1 Pyrazol-3-ones That Activate Pro-apoptotic BAX DANA FARBER CANCER INSTITUTE, INC. (US) 2014-12-04 — — 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-20210032234-A1 PYRAZOL-3-ONES THAT ACTIVATE PRO-APOPTOTIC BAX BAX, BAD, CASP3 NT5E 4486/4885SMN1; SMN2 961/4885MAPT 3506/4885
US-10844053-B2 Pyrazol-3-ones that activate pro-apoptotic BAX BAX, BAD, CASP3 NT5E 4486/4885SMN1; SMN2 961/4885MAPT 3506/4885
US-20140357687-A1 Pyrazol-3-ones That Activate Pro-apoptotic BAX BAX, BAD, CASP3 NT5E 4486/4885SMN1; SMN2 961/4885MAPT 3506/4885
US-11358960-B2 Pyrazol-3-ones that activate pro-apoptotic BAX BAX, BAD, CASP3 NT5E 4486/4885SMN1; SMN2 961/4885MAPT 3506/4885
US-20190315730-A1 PYRAZOL-3-ONES THAT ACTIVATE PRO-APOPTOTIC BAX BAX, BAD, CASP3 NT5E 4486/4885SMN1; SMN2 961/4885MAPT 3506/4885

“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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