SCHEMBL4298077

SCHEMBL4298077

CC(=O)CCn1ccnc1C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 3/20 0.55
POLB P06746 1/20 0.55
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
TSHR P16473 1/20 0.46
FDPS P14324 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ESR1 P03372 1/20 0.45
ALPL P05186 2/20 0.44
ALPG P10696 2/20 0.44
ALPI P09923 1/20 0.44
PLAA Q9Y263 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
GFER P55789 1/20 0.43
NOS1 P29475 1/20 0.42

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
SCHEMBL992745 0.85 SMN1; SMN2 (0.61) KMT2AALDH1A1POLBCA12CA1
SCHEMBL1178451 0.84 KMT2A (0.56) KMT2AALDH1A1POLBCA12CA1
SCHEMBL12735399 0.81 ALPL (0.54) KMT2AALDH1A1POLBCA12CA1
SCHEMBL2962697 0.81 KMT2A (0.57) KMT2AALDH1A1POLBCA12CA1
Acetic Acid SCHEMBL28811868 0.80 ALDH1A1 (0.62) KMT2AALDH1A1POLBCA12CA1
SCHEMBL16353276 0.80 TLR8 (0.54) KMT2AALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL23723498 0.80 KMT2A (0.52) KMT2AALDH1A1POLBCA12CA1
SCHEMBL4410767 0.80 KMT2A (0.63) KMT2AALDH1A1POLBCA12CA1
SCHEMBL2970107 0.80 ALDH1A1 (0.53) KMT2AALDH1A1POLBCA12CA1
SCHEMBL4779659 0.80 ALDH1A1 (0.72) KMT2AALDH1A1POLBCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629108-B2 Nitrogen-containing organic compound, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
US-20080102405-A1 Nitrogen-containing organic compound, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. 2008-05-01 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 (2 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-20080102405-A1 Nitrogen-containing organic compound, resist composition and patterning process MDM4, MUS81, NOP2 KMT2A 2370/4885ALDH1A1 4502/4885POLB 94/4885
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 KMT2A 3535/4885ALDH1A1 438/4885POLB 918/4885

“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.