SCHEMBL6371566

SCHEMBL6371566

C[C@@H](COc1ccc(I)cc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.49
▸ KMT2A Q03164 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ HPGD P15428 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ RECQL P46063 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ RPS6KA2 Q15349 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TNF P01375 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL6366286 1.00 TDP1 (0.49) TDP1KMT2ASMN1; SMN2POLBHPGD
SCHEMBL6366282 1.00 TDP1 (0.49) TDP1KMT2ASMN1; SMN2POLBHPGD
SCHEMBL10608096 0.81 SCN2A (0.48) TDP1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL31616030 0.79 TDP1 (0.49) TDP1KMT2APOLBHPGDRAB9A
SCHEMBL31616042 0.79 TDP1 (0.49) TDP1KMT2APOLBHPGDRAB9A
SCHEMBL27755640 0.77 TDP1 (0.65) TDP1POLBHPGDTP53ALDH1A1
SCHEMBL11914467 0.76 TDP1 (0.59) TDP1SMN1; SMN2POLBRAB9AMAPT
SCHEMBL9933904 0.76 TDP1 (0.59) TDP1SMN1; SMN2POLBRAB9AMAPT
SCHEMBL4626053 0.76 TDP1 (0.59) TDP1SMN1; SMN2POLBRAB9AMAPT
SCHEMBL10639046 0.76 TDP1 (0.51) TDP1KMT2ASMN1; SMN2POLBMAPT

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-20050245529-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 — — 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-20050245529-A1 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 TDP1 4642/4885KMT2A 1212/4885SMN1; SMN2 3030/4885

“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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