SCHEMBL16822909

SCHEMBL16822909

CC(O)N1CCN(c2ccc([N+](=O)[O-])c(F)c2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
ALDH1A1 P00352 7/20 0.50
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSB P07858 1/20 0.40
AR P10275 1/20 0.40
POLB P06746 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 2/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38

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
SCHEMBL16823203 0.83 MAPT (0.48) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL29847859 0.81 MAPT (0.56) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL16513957 0.81 MAPT (0.56) MAPTALDH1A1MEN1KMT2ACYP1A2
SCHEMBL16823294 0.78 MAPT (0.54) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16823133 0.77 SIRT6 (0.51) MAPTALDH1A1KMT2ACYP1A2CYP2C9
SCHEMBL853018 0.76 MAPT (0.60) MAPTALDH1A1MEN1KMT2ACTSB
SCHEMBL16513522 0.76 ALDH1A1 (0.53) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL519289 0.76 CTSB (0.62) MAPTALDH1A1CTSBPOLBCYP1A2
SCHEMBL5945280 0.76 ALDH1A1 (0.58) MAPTALDH1A1MEN1KMT2ACTSB
SCHEMBL16823275 0.76 ALDH1A1 (0.40) MAPTALDH1A1POLBPKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550770-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2017-01-24 US disclosed
US-20150175601-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2015-06-25 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 (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-20150175601-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 MAPT 2087/4885ALDH1A1 1767/4885MEN1 440/4885

“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.