SCHEMBL13600643

SCHEMBL13600643

Cc1cc(C(=O)N2CCN(CCCCC(C)C)CC2)no1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.52
▸ THRB P10828 1/20 0.52
▸ KMT2A Q03164 3/20 0.49
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ CHRNA4 P43681 2/20 0.47
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ PLA2G2A P14555 5/20 0.42

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
SCHEMBL13178368 0.86 TSHR (0.55) TSHRTHRBKMT2AMAPTALDH1A1
SCHEMBL13600599 0.81 TSHR (0.53) TSHRTHRBKMT2AMAPTALDH1A1
SCHEMBL18390528 0.79 TSHR (0.60) TSHRTHRBKMT2AMAPTALDH1A1
SCHEMBL13149947 0.79 TSHR (0.61) TSHRTHRBKMT2AALDH1A1KDM4E
SCHEMBL2360551 0.77 KMT2A (0.62) TSHRTHRBKMT2AMAPTALDH1A1
SCHEMBL18390550 0.76 KMT2A (0.58) TSHRTHRBKMT2AMAPTALDH1A1
SCHEMBL20349488 0.74 KMT2A (0.56) TSHRTHRBKMT2AMAPTALDH1A1
SCHEMBL13600641 0.72 ALDH1A1 (0.64) TSHRKMT2AMAPTALDH1A1KDM4E
SCHEMBL18483472 0.71 KMT2A (0.67) TSHRKMT2AMAPTALDH1A1CHRNA4
SCHEMBL2603239 0.71 KMT2A (0.56) TSHRTHRBKMT2AMAPTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632833-B2 Anticancer agents MERCK & CO., INC. (US) 2009-12-15 — — US disclosed
US-20080287414-A1 Mitotic Kinesin Inhibitors MERCK & CO., INC. (US) 2008-11-20 — — 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-20080287414-A1 Mitotic Kinesin Inhibitors KIF5B, KIF2C, KIF18B TSHR 4668/4885THRB 4418/4885KMT2A 839/4885

“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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