SCHEMBL16640630

SCHEMBL16640630

Cc1c(C(=O)N2CCSC2=S)ccn(CCOCc2ccccc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK14 Q16539 1/20 0.36
TEAD3 Q99594 2/20 0.35
CHRM3 P20309 1/20 0.34
PKM P14618 2/20 0.33
LTA4H P09960 1/20 0.33
NOTUM Q6P988 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL19646287 0.88 KMT2A (0.43) KMT2AALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL16640634 0.79 NOTUM (0.48) KMT2AALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL16640636 0.75 TSHR (0.43) KMT2AALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL16644651 0.74 MAPT (0.46) KMT2AALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL18195392 0.72 ALDH1A1 (0.49) KMT2AALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL17972738 0.70 MAPT (0.61) KMT2AALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL11990349 0.70 MAPT (0.46) KMT2AALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL3424491 0.70 ALDH1A1 (0.44) KMT2AALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL19050878 0.70 MAPT (0.51) KMT2AALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL3424162 0.69 MAPT (0.46) KMT2AALDH1A1MAPTCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9827336-B2 Radio-pharmaceutical complexes BAYER AS (NO) 2017-11-28 US disclosed
US-20150147272-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER AS (NO) 2015-05-28 US disclosed
US-20150110817-A1 RADIO-PHARMACEUTICAL COMPLEXES BAYER AS (NO) 2015-04-23 US disclosed
US-20150104385-A1 RADIO-PHARMACEUTICAL COMPLEXES ALGETA ASA (NO) 2015-04-16 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 (3 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-20150147272-A1 RADIO-PHARMACEUTICAL COMPLEXES HCAR3, TYRO3, HCAR1 KMT2A 3891/4885ALDH1A1 2139/4885MAPT 3550/4885
US-20150104385-A1 RADIO-PHARMACEUTICAL COMPLEXES CD22, HAVCR2, CD2 KMT2A 3572/4885ALDH1A1 1908/4885MAPT 3076/4885
US-20150110817-A1 RADIO-PHARMACEUTICAL COMPLEXES TSPO, TK1, HCAR1 KMT2A 4029/4885ALDH1A1 2824/4885MAPT 1052/4885

“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.