SCHEMBL4851683

SCHEMBL4851683

COc1cc(CO)ccc1OCc1csc(N2CCCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
F2RL3 Q96RI0 2/20 0.45
DNM1L O00429 1/20 0.43
ERBB2 P04626 4/20 0.43
EPHA2 P29317 4/20 0.43
KDR P35968 3/20 0.43
EPHB4 P54760 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 2/20 0.41

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
SCHEMBL4850882 0.90 NPC1 (0.53) POLBNPC1RAB9AF2RL3ERBB2
SCHEMBL4852273 0.82 KDM4E (0.50) NPC1RAB9AF2RL3ERBB2EPHA2
SCHEMBL4848311 0.80 ALDH1A1 (0.46) POLBNPC1RAB9AF2RL3MEN1
SCHEMBL4845922 0.75 MEN1 (0.40) POLBF2RL3DNM1LMEN1KMT2A
SCHEMBL4850653 0.73 MEN1 (0.38) POLBF2RL3DNM1LMEN1KMT2A
SCHEMBL4848215 0.72 ALDH1A1 (0.53) NPC1RAB9AF2RL3ERBB2EPHA2
SCHEMBL10465680 0.72 SMN1; SMN2 (0.49) POLBNPC1RAB9ADNM1LMEN1
SCHEMBL11071574 0.71 ERBB2 (0.47) POLBNPC1RAB9AERBB2EPHA2
SCHEMBL7185717 0.70 HRH3 (0.47) POLBNPC1RAB9ADNM1LMEN1
SCHEMBL4855047 0.70 F2RL3 (0.48) POLBNPC1RAB9AF2RL3MEN1

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-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP 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-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 POLB 3042/4885NPC1 822/4885RAB9A 1036/4885

“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.