SCHEMBL12412689

SCHEMBL12412689

CC(C)(C)c1cnc(N2CCN(CCO)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HRH3 Q9Y5N1 3/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL12412693 0.82 HTR1A (0.48) HRH3HDAC6DRD2PPARGPPARD
SCHEMBL19145298 0.82 MEN1 (0.53) CYP2C9MEN1CYP3A4CYP2C19KMT2A
SCHEMBL19959013 0.81 HRH3 (0.54) HRH3KDM4ESIGMAR1DRD2
SCHEMBL19977414 0.81 CYP2C9 (0.45) CYP2C9MEN1CYP3A4CYP2C19KMT2A
SCHEMBL11989608 0.80 HRH4 (0.47) MEN1KMT2AHRH3ALDH1A1HSD17B10
SCHEMBL21780751 0.79 CYP2C9 (0.50) CYP2C9MEN1CYP3A4CYP2C19KMT2A
SCHEMBL12412686 0.79 KDM4E (0.45) MEN1KMT2AHRH3ALDH1A1LMNA
SCHEMBL3662266 0.79 MEN1 (0.53) CYP2C9MEN1CYP3A4CYP2C19KMT2A
SCHEMBL23870214 0.78 KMT2A (0.49) CYP2C9MEN1CYP3A4CYP2C19KMT2A
SCHEMBL19105533 0.78 CYP2C9 (0.49) CYP2C9MEN1CYP3A4CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2011-07-07 — — 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-20110166088-A1 BENZOTHIAZOLES AND AZA-ANALOGUES THEREOF USE AS ANTIBACTERIAL AGENTS TOP2B, TOP1, POLI CYP2C9 802/4885MEN1 4372/4885CYP3A4 97/4885

“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.

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