SCHEMBL19056880

SCHEMBL19056880

CCCCC1CCc2ccc3cccnc3c2N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 6/20 0.39
▸ CCR1 P32246 2/20 0.37
▸ CCR5 P51681 2/20 0.37
▸ CCR8 P51685 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ LMNA P02545 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ GMNN O75496 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ MMP8 P22894 1/20 0.36

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
SCHEMBL19056871 0.82 CCR1 (0.35) CCR1CCR5LMNAHTT
SCHEMBL19056884 0.81 PARP1 (0.32) —
SCHEMBL19056872 0.81 KCNH2 (0.31) —
SCHEMBL19511225 0.80 AR (0.36) L3MBTL1LMNAHTT
SCHEMBL19056914 0.80 PRKD3 (0.30) —
SCHEMBL19056875 0.78 SLC40A1 (0.45) SLC40A1CCR1CCR5CCR8L3MBTL1
SCHEMBL19511212 0.76 AR (0.35) —
SCHEMBL19511293 0.73 AR (0.33) —
SCHEMBL19511322 0.73 PARP1 (0.32) MAPTKDM4ELMNATDP1ALOX15
SCHEMBL19056869 0.72 SLC40A1 (0.43) SLC40A1CCR1CCR5CCR8L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106573941-B Novel 4th group transition metal compound and application thereof 韩华化学株式会社 2019-07-12 — — CN disclosed
EP-3187499-B1 NOVEL GROUP 4 TRANSITION METAL COMPOUND AND USE THEREOF HANWHA CHEMICAL CORP (KR) 2019-04-24 — — EP disclosed
US-10160775-B2 Group 4 transition metal compound and use thereof HANWHA CHEMICAL CORPORATION (KR) 2018-12-25 — — US disclosed
US-20170233415-A1 NOVEL GROUP 4 TRANSITION METAL COMPOUND AND USE THEREOF HANWHA CHEMICAL CORPORATION (KR) 2017-08-17 — — US disclosed
EP-3187499-A1 NOVEL GROUP 4 TRANSITION METAL COMPOUND AND USE THEREOF Hanwha Chemical Corporation (KR) 2017-07-05 — — EP 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 (2 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-20170233415-A1 NOVEL GROUP 4 TRANSITION METAL COMPOUND AND USE THEREOF TRPV4, TRPM4, MORF4L1 SLC40A1 678/4885CCR1 2517/4885CCR5 825/4885
US-10160775-B2 Group 4 transition metal compound and use thereof TRPV4, TRPM4, MORF4L1 SLC40A1 794/4885CCR1 2202/4885CCR5 798/4885

“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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