SCHEMBL7043060

SCHEMBL7043060

CC(=S)NCC(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.62
▸ SMN1; SMN2 Q16637 4/20 0.62
▸ ALOX12 P18054 2/20 0.62
▸ MEN1 O00255 6/20 0.56
▸ KMT2A Q03164 6/20 0.56
▸ CYP3A4 P08684 4/20 0.56
▸ CYP1A2 P05177 3/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ HPGD P15428 4/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ MAPT P10636 4/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ CES1 P23141 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ LMNA P02545 2/20 0.53
▸ HTT P42858 2/20 0.51
▸ RAB9A P51151 4/20 0.50
▸ NPC1 O15118 3/20 0.50

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
SCHEMBL1945591 0.84 MTNR1A (0.59) ALDH1A1SMN1; SMN2ALOX12MEN1KMT2A
Methane SCHEMBL11374227 0.82 MTNR1A (0.57) ALDH1A1SMN1; SMN2ALOX12MEN1KMT2A
SCHEMBL547365 0.81 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2ALOX12MEN1KMT2A
SCHEMBL11216066 0.79 MEN1 (0.62) ALDH1A1SMN1; SMN2ALOX12MEN1KMT2A
SCHEMBL3231208 0.78 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2ALOX12MEN1KMT2A
SCHEMBL5642956 0.78 KMT2A (0.67) ALDH1A1SMN1; SMN2ALOX12MEN1KMT2A
SCHEMBL7429982 0.77 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2ALOX12MEN1KMT2A
SCHEMBL6252587 0.77 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2ALOX12MEN1KMT2A
SCHEMBL6931635 0.77 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2ALOX12MEN1KMT2A
SCHEMBL11756979 0.77 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2ALOX12MEN1KMT2A

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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2003-11-13 — — US disclosed
EP-1243580-A1 HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE Nissan Chemical Industries, Ltd. (JP) 2002-09-25 — — EP disclosed
US-5583147-A INHIBITORS OF ACYL-COENZYME A: CHOLESTEROL O-TRANSFERASE; ANTIHYPERCHOLESTEROLEMIC AND/OR ANTIATHEROSCLEROTIC AGENTS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-10 — — 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-20030212116-A1 Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use DDT, CBR3, CYP1B1 ALDH1A1 1119/4885SMN1; SMN2 4594/4885ALOX12 2169/4885

“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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