SCHEMBL11949543

SCHEMBL11949543

C[C@H](Cc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.79
▸ NPC1 O15118 4/20 0.79
▸ SMN1; SMN2 Q16637 2/20 0.71
▸ TP53 P04637 1/20 0.71
▸ HPGD P15428 1/20 0.71
▸ KMT2A Q03164 4/20 0.66
▸ MEN1 O00255 3/20 0.66
▸ HTT P42858 1/20 0.66
▸ ACACB O00763 1/20 0.63
▸ CTRB1 P17538 5/20 0.61
▸ LMNA P02545 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ TAAR1 Q96RJ0 1/20 0.59
▸ SIGMAR1 Q99720 1/20 0.58
▸ HSP90AA1 P07900 1/20 0.57

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
SCHEMBL880676 1.00 RAB9A (0.79) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL24862899 0.90 RAB9A (0.67) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL4103656 0.89 RAB9A (0.74) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL23099741 0.89 NPC1 (0.74) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL507202 0.88 RAB9A (0.76) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL17914156 0.86 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL17914162 0.86 ATM (0.66) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL25890576 0.86 ACACB (0.67) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL23099898 0.85 NPC1 (0.60) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL10520203 0.85 CTSB (0.63) RAB9ANPC1SMN1; SMN2TP53HPGD

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-20120190820-A1 FACILE AMIDE FORMATION VIA S-NITROSO THIOACID INTERMEDIATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-07-26 — — 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-20120190820-A1 FACILE AMIDE FORMATION VIA S-NITROSO THIOACID INTERMEDIATES NAAA, TST, ASNS RAB9A 2323/4885NPC1 4295/4885SMN1; SMN2 2383/4885

“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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