SCHEMBL13545859

SCHEMBL13545859

O=C(NCc1ccccc1Cl)c1scc2c1CCCC2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.57
▸ MAPT P10636 5/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ TP53 P04637 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ THRB P10828 1/20 0.46
▸ PKM P14618 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CACNA1G O43497 1/20 0.45
▸ CACNA1H O95180 1/20 0.45

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
SCHEMBL6359246 0.72 SMN1; SMN2 (0.57) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL15778999 0.72 SMN1; SMN2 (0.75) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13545773 0.71 KMT2A (0.72) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13545865 0.70 TP53 (0.49) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2912570 0.68 SMN1; SMN2 (0.82) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL30858769 0.67 NPC1 (1.00) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17208121 0.66 SMN1; SMN2 (0.78) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11536699 0.66 ATM (0.67) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL13068464 0.66 ALDH1A1 (0.57) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4867183 0.66 THRB (0.74) MAPTLMNATP53ALDH1A1THRB

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-20100022530-A1 TETRAHYDROBENZOISOXAZOLE AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN MERCK PATENT GMBH (DE) 2010-01-28 — — US disclosed
US-20100022530-A1 TETRAHYDROBENZOISOXAZOLE AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN MERCK PATENT GMBH (DE) 2010-01-28 — — US disclosed
WO-2008080455-A1 TETRAHYDROBENZOISOXAZOLE - AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN MERCK PATENT GMBH (DE) 2008-07-10 — — WO 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-20100022530-A1 TETRAHYDROBENZOISOXAZOLE AND TETRAHYDROINDAZOLE DERIVATIVES AS MODULATORS OF THE MITOTIC MOTOR PROTEIN CCNB3, TUBB3, CCNB1 KMT2A 1405/4885MAPT 807/4885NPC1 4626/4885

“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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