SCHEMBL676887

SCHEMBL676887

COC(=O)N(C)Cc1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 1/20 0.47
LIN28A Q9H9Z2 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CA2 P00918 1/20 0.46
HIF1A Q16665 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KCNA5 P22460 1/20 0.44
LMNA P02545 1/20 0.43
PYGL P06737 1/20 0.43

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
SCHEMBL12331332 0.86 TDP1 (0.46) SMN1; SMN2TDP1MAPTLIN28AKMT2A
SCHEMBL2186737 0.85 TRPM8 (0.52) SMN1; SMN2TDP1MAPTLIN28AMEN1
SCHEMBL2755875 0.84 HIF1A (0.59) SMN1; SMN2TDP1MEN1KMT2AHIF1A
SCHEMBL4676290 0.83 HTR2C (0.49) SMN1; SMN2TDP1MAPTLIN28AMEN1
SCHEMBL12207230 0.83 HIF1A (0.48) SMN1; SMN2TDP1MAPTLIN28AMEN1
SCHEMBL21742039 0.83 SMN1; SMN2 (0.46) SMN1; SMN2TDP1MAPTLIN28AMEN1
SCHEMBL427048 0.81 SMN1; SMN2 (0.52) SMN1; SMN2TDP1MAPTLIN28AKMT2A
SCHEMBL6204342 0.81 KDM4E (0.52) SMN1; SMN2TDP1MAPTLIN28AKMT2A
SCHEMBL15170931 0.81 SMN1; SMN2 (0.45) SMN1; SMN2TDP1MAPTLIN28AMEN1
SCHEMBL10875090 0.80 MEN1 (0.46) SMN1; SMN2TDP1MAPTLIN28AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180007904-A1 Pesticidal Active Mixtures Comprising Isoxazoline Compounds I BASF SE (DE) 2018-01-11 US disclosed
US-20170354636-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE SEQUOIA PHARMACEUTICALS INC (US) 2017-12-14 US disclosed
US-9770029-B2 Pesticidal active mixtures comprising isoxazoline compounds I BASF SE (DE) 2017-09-26 US disclosed
US-20170042156-A1 Pesticidal Active Mixtures Comprising Isoxazoline Compounds I BASF SE (DE) 2017-02-16 US disclosed
US-20140087943-A1 Pesticidal Active Mixtures Comprising Isoxazoline Compounds I BASF SE (DE) 2014-03-27 US disclosed
US-8563474-B2 Pestcidal active mixtures comprising isoxazoline compounds I BASF SE (DE) 2013-10-22 US disclosed
US-20130060013-A1 Compounds useful for treating neurodegenerative disorders SATORI PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-20110159107-A1 Pesticidal Mixtures Comprising Isoxazoline Compounds II BASF SE (DE) 2011-06-30 US disclosed
US-20110118212-A1 Pestcidal active mixtures comprising isoxazoline compounds I BASF SE (DE) 2011-05-19 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 (7 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-20110159107-A1 Pesticidal Mixtures Comprising Isoxazoline Compounds II PRDX1, PRDX2, PRDX5 SMN1; SMN2 2069/4885TDP1 2621/4885MAPT 3866/4885
US-20170042156-A1 Pesticidal Active Mixtures Comprising Isoxazoline Compounds I CHRM3, CHRM5, CACNA1C SMN1; SMN2 4585/4885TDP1 4776/4885MAPT 3593/4885
US-20170354636-A1 METHODS FOR INHIBITING TUMORS AND DRUG RESISTANCE HCCS, CYP2E1, CYP7A1 SMN1; SMN2 4787/4885TDP1 3756/4885MAPT 4370/4885
US-20110118212-A1 Pestcidal active mixtures comprising isoxazoline compounds I CHRM3, CHRM5, CHRM1 SMN1; SMN2 4325/4885TDP1 4816/4885MAPT 3468/4885
US-20180007904-A1 Pesticidal Active Mixtures Comprising Isoxazoline Compounds I CHRM3, CHRM5, CACNA1C SMN1; SMN2 4585/4885TDP1 4776/4885MAPT 3593/4885
US-20130060013-A1 Compounds useful for treating neurodegenerative disorders SNCA, HTT, CLN6 SMN1; SMN2 7/4885TDP1 159/4885MAPT 4/4885
US-20140087943-A1 Pesticidal Active Mixtures Comprising Isoxazoline Compounds I CHRM3, CHRM5, CACNA1C SMN1; SMN2 4585/4885TDP1 4776/4885MAPT 3593/4885

“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.