SCHEMBL16157208

SCHEMBL16157208

CCN(CC)c1ccc(C(=O)Nc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 1.00
KMT2A Q03164 9/20 1.00
MAPT P10636 5/20 1.00
ALDH1A1 P00352 4/20 1.00
NPC1 O15118 2/20 1.00
MAPK1 P28482 1/20 1.00
HTT P42858 1/20 1.00
RAB9A P51151 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
HCAR3 P49019 2/20 0.68
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
GAA P10253 1/20 0.57
RECQL P46063 1/20 0.56
ALDH3A1 P30838 1/20 0.52
ALOX5 P09917 1/20 0.51
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
ALOX12 P18054 1/20 0.49

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
SCHEMBL16157216 0.86 MAPT (0.74) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL6814247 0.82 MEN1 (0.70) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL10502222 0.82 HCAR3 (1.00) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL8303947 0.80 ALDH1A1 (0.71) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL6647253 0.79 MEN1 (0.72) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL28003095 0.79 KMT2A (0.73) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL10941351 0.78 ALDH1A1 (0.68) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL6817979 0.78 POLB (0.79) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL3099915 0.78 MAPT (0.64) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL3642451 0.78 KMT2A (0.63) MEN1KMT2AMAPTALDH1A1NPC1

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
EP-2970145-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER BROAD INST INC (US) 2020-05-06 EP disclosed
US-9890127-B2 Compounds and compositions for the treatment of cancer THE BROAD INSTITUTE, INC. (US) 2018-02-13 US disclosed
US-9890127-B2 Compounds and compositions for the treatment of cancer THE BROAD INSTITUTE, INC. (US) 2018-02-13 US disclosed
US-20160016913-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER THE BROAD INSTITUTE, INC. (US) 2016-01-21 US disclosed
US-20160016913-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER THE BROAD INSTITUTE, INC. (US) 2016-01-21 US disclosed
WO-2014164704-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER THE BROAD INSTITUTE, INC. (US) 2014-10-09 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-20160016913-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER TP53, RB1, CDK4 MEN1 1358/4885KMT2A 1275/4885MAPT 2840/4885

“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.