SCHEMBL15714902

SCHEMBL15714902

COC(=O)c1ccccc1-n1c(C)cc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 4/20 0.66
TSHR P16473 2/20 0.51
ALDH1A1 P00352 4/20 0.48
POLB P06746 3/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 2/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
NR4A1 P22736 1/20 0.43
LMNA P02545 2/20 0.42
NR4A2 P43354 1/20 0.42
CFTR P13569 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL15714890 0.84 MYC (0.63) MYCTSHRALDH1A1POLBNR4A1
SCHEMBL15714477 0.80 MYC (1.00) MYCTSHRALDH1A1POLBRAB9A
SCHEMBL19011403 0.79 MYC (0.50) MYCTSHRALDH1A1POLBRAB9A
SCHEMBL11926706 0.77 MYC (0.66) MYCTSHRALDH1A1POLBMAPT
SCHEMBL19011483 0.77 MYC (0.66) MYCTSHRALDH1A1POLBRAB9A
SCHEMBL14666395 0.75 MYC (0.59) MYCTSHRALDH1A1POLBMAPT
SCHEMBL27782461 0.74 MTNR1A (0.47) MYCTSHRALDH1A1RAB9AMAPT
SCHEMBL12541544 0.74 RXFP1 (0.63) TSHRALDH1A1POLBRAB9AMAPT
SCHEMBL6303368 0.74 MYC (0.53) MYCTSHRALDH1A1POLBMAPT
SCHEMBL8876281 0.72 KMT2A (0.62) MYCTSHRALDH1A1POLBLMNA

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 MYC 1/4885TSHR 4278/4885ALDH1A1 963/4885

“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.