SCHEMBL13545809

SCHEMBL13545809

CN1CCC(N(Cc2ccccc2Cl)C(=O)c2noc3c2CCCC3)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ TP53 P04637 2/20 0.48
▸ GHSR Q92847 1/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ MAPT P10636 1/20 0.45
▸ LMNA P02545 2/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ SCD5 Q86SK9 3/20 0.41
▸ SCD O00767 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ G6PD P11413 1/20 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
SCHEMBL13545858 0.71 SMN1; SMN2 (0.59) ALDH1A1TP53SMN1; SMN2MAPTLMNA
SCHEMBL13545773 0.70 KMT2A (0.72) ALDH1A1TP53SMN1; SMN2MAPTLMNA
SCHEMBL13545805 0.70 LMNA (0.46) ALDH1A1TP53SMN1; SMN2MAPTLMNA
SCHEMBL18716697 0.65 GHSR (0.76) ALDH1A1GHSRKMT2A
SCHEMBL13545811 0.65 LMNA (0.57) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL12004580 0.65 GHSR (1.00) GHSRKMT2A
SCHEMBL12004771 0.65 GHSR (1.00) GHSRKMT2A
SCHEMBL12004577 0.65 GHSR (1.00) GHSRKMT2A
SCHEMBL13545851 0.64 ALDH1A1 (0.48) ALDH1A1TP53SMN1; SMN2MAPTLMNA
SCHEMBL12005633 0.63 OPRM1 (0.56) ALDH1A1GHSRSMN1; SMN2MAPTKMT2A

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 ALDH1A1 2977/4885TP53 711/4885GHSR 4608/4885

“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.

Send feedback