SCHEMBL19056875

SCHEMBL19056875

CC1CCc2ccc3cccnc3c2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 9/20 0.45
▸ LMNA P02545 3/20 0.43
▸ CCR1 P32246 3/20 0.43
▸ CCR5 P51681 3/20 0.43
▸ CCR8 P51685 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ GMNN O75496 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ MTOR P42345 1/20 0.43

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
SCHEMBL19056869 0.79 SLC40A1 (0.43) SLC40A1LMNACCR1CCR5CCR8
SCHEMBL19056900 0.79 CCR1 (0.42) SLC40A1CCR1CCR5
SCHEMBL21358576 0.78 SLC40A1 (0.44) SLC40A1LMNACCR1CCR5CCR8
SCHEMBL19056880 0.78 SLC40A1 (0.39) SLC40A1LMNACCR1CCR5CCR8
SCHEMBL21358807 0.77 SLC40A1 (0.43) SLC40A1LMNACCR1CCR5CCR8
SCHEMBL6740937 0.75 ADRA2A (0.38) TSHRKDM4EMAPTCYP2D6NFKB1
SCHEMBL19511078 0.75 ALDH1A1 (0.35) TSHRALOX15KDM4EGFER
SCHEMBL13154645 0.74 LMNA (0.52) SLC40A1LMNACCR1CCR5CCR8
SCHEMBL9138052 0.72 SLC40A1 (0.49) SLC40A1LMNACCR1CCR5CCR8
SCHEMBL19056873 0.71 PDE10A (0.38) —

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 678/4885LMNA 4374/4885CCR1 2517/4885
US-10160775-B2 Group 4 transition metal compound and use thereof TRPV4, TRPM4, MORF4L1 SLC40A1 794/4885LMNA 4174/4885CCR1 2202/4885

“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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