SCHEMBL15714404

SCHEMBL15714404

Cc1ccc(C)n1-c1ccccc1-c1nnn[nH]1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
MYC P01106 7/20 0.37
NR4A1 P22736 1/20 0.37
AKT1 P31749 2/20 0.32
ALDH1A1 P00352 1/20 0.32
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KCNN4 O15554 2/20 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
SCHEMBL12615990 0.76 ALDH1A1 (0.38) GAAMEN1KMT2AALDH1A1
SCHEMBL918324 0.75 DCUN1D1 (0.47) GAAKDM4EMEN1USP2HTT
SCHEMBL27761643 0.73 GAA (0.44) GAAKDM4EMEN1USP2HTT
SCHEMBL931845 0.72 HSP90AA1 (0.43) GAAKDM4EMEN1HTTKMT2A
SCHEMBL5333176 0.72 HTR7 (0.55)
Hydrochloric Acid SCHEMBL27741149 0.71 GAA (0.43) GAAKDM4EUSP2HTTALDH1A1
SCHEMBL28340371 0.71 IDO1 (0.47) GAAKDM4EMEN1USP2KMT2A
SCHEMBL13407536 0.71 NOTUM (0.36) ALDH1A1
Methylbiphenyl Tetrazole SCHEMBL29457258 0.70 NR1H2 (0.39) KDM4EMEN1TP53KMT2AALDH1A1
Methylbiphenyl Tetrazole SCHEMBL1774035 0.70 NR1H2 (0.39) KDM4EMEN1TP53KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2917203-B1 METHOD FOR IDENTIFYING MYC INHIBITORS DANA FARBER CANCER INST INC (US) 2019-04-03 EP disclosed
US-9567301-B2 Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-14 US disclosed
US-9567301-B2 Pyrrol-1-yl benzoic acid derivatives useful as myc inhibitors DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-02-14 US disclosed
US-9540320-B2 2017-01-10 US disclosed
US-9540320-B2 2017-01-10 US disclosed
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2015-10-15 US disclosed
US-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2015-10-15 US disclosed
WO-2014071247-A1 PYRROL-1 -YL BENZOIC ACID DERIVATES USEFUL AS MYC INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-05-08 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 (1 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-20150291521-A1 PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS MYC, MYCBP, YAP1 GAA 879/4885KDM4E 1673/4885MEN1 606/4885

“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.