SCHEMBL15869722

SCHEMBL15869722

Cc1cccc(Br)c1OCCOc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.45
▸ SCN8A Q9UQD0 2/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ HTR1B P28222 2/20 0.42
▸ HTR1D P28221 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL15869661 0.87 KCNA3 (0.54) KCNA3SCN8ADRD2DRD4PKM
SCHEMBL12440953 0.80 KDM4E (0.42) SCN8AALDH1A1MAPTLMNAMEN1
SCHEMBL15869671 0.79 KDM4E (0.58) KCNA3SCN8ADRD2DRD4PKM
SCHEMBL25822291 0.79 ALDH1A1 (0.44) SCN8AALDH1A1LTA4HMAPTLMNA
SCHEMBL11313504 0.78 ALDH1A1 (0.48) ALDH1A1LTA4HMAPTMEN1KMT2A
SCHEMBL15869721 0.78 MAPK1 (0.61) KCNA3SCN8ADRD2DRD4ALDH1A1
SCHEMBL8418493 0.77 MEN1 (0.48) KCNA3DRD2DRD4PKMALDH1A1
SCHEMBL23680455 0.77 ALDH1A1 (0.51) SCN8AALDH1A1MAPTLMNAMEN1
SCHEMBL12772155 0.77 HTR1A (0.50) SCN8AALDH1A1TDP1MAPTLMNA
SCHEMBL30195878 0.76 ALDH1A1 (0.44) SCN8AALDH1A1TDP1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056862-B2 Thioxothiazolidine derivative having Ras function inhibitory effect NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2015-06-16 — — US disclosed
US-9056862-B2 Thioxothiazolidine derivative having Ras function inhibitory effect NATIONAL UNIVERSITY CORPORATION KOBE UNIVERSITY (JP) 2015-06-16 — — US disclosed
US-20140194412-A1 THIOXOTHIAZOLIDINE DERIVATIVE HAVING RAS FUNCTION INHIBITORY EFFECT KNC LABORATORIES CO., LTD. (JP) 2014-07-10 — — US disclosed
US-20140194412-A1 THIOXOTHIAZOLIDINE DERIVATIVE HAVING RAS FUNCTION INHIBITORY EFFECT KNC LABORATORIES CO., LTD. (JP) 2014-07-10 — — 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-20140194412-A1 THIOXOTHIAZOLIDINE DERIVATIVE HAVING RAS FUNCTION INHIBITORY EFFECT KRAS, NRAS, RASSF5 KCNA3 2735/4885SCN8A 2765/4885DRD2 4040/4885

“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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