SCHEMBL4390590

SCHEMBL4390590

Ic1ccc(-c2ccc(I)cn2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.46
▸ CCR5 P51681 2/20 0.46
▸ CCR8 P51685 2/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ P4HTM Q9NXG6 2/20 0.39
▸ P4HA1 P13674 1/20 0.39
▸ METAP2 P50579 2/20 0.34
▸ HDAC8 Q9BY41 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4385503 0.83 KDM4E (0.61) CCR1CCR5CCR8P4HTMMETAP2
SCHEMBL15097694 0.80 LDHA (0.52) RAB9A
SCHEMBL13664454 0.77 CYP1A2 (0.47) LMNATP53HPGDSMN1; SMN2CYP1A2
SCHEMBL20098748 0.77 KDM1A (0.49) CCR1CCR5CCR8HDAC6METAP2
SCHEMBL15907498 0.77 NPC1 (0.49) METAP2KDM4ENPC1ALDH1A1TP53
SCHEMBL23632228 0.77 KDM1A (0.49) METAP2NPC1ALDH1A1TP53PKM
SCHEMBL23504950 0.77 CYP11B1 (0.43) METAP2KDM4ENPC1ALDH1A1TP53
SCHEMBL19992669 0.77 KDM1A (0.49) METAP2KDM4ENPC1ALDH1A1HPGD
SCHEMBL31215036 0.76 KDM4E (0.42) KDM4EALDH1A1BLM
SCHEMBL198094 0.75 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084608-B2 2,2′ -bipyridine derivative having a reactive silyl group, its production method, and transition metal complex SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-12-27 — — US disclosed
US-20090299068-A1 2,2' -BIPYRIDINE DERIVATIVE HAVING A REACTIVE SILYL GROUP, ITS PRODUCTION METHOD, AND TRANSITION METAL COMPLEX SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-12-03 — — US disclosed
EP-2128165-A1 2, 2´-bipyridine derivatives having reactive silyl group, production methods, transition metal complexes thereof Shin-Etsu Chemical Co., Ltd. (JP) 2009-12-02 — — 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 (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-20090299068-A1 2,2' -BIPYRIDINE DERIVATIVE HAVING A REACTIVE SILYL GROUP, ITS PRODUCTION METHOD, AND TRANSITION METAL COMPLEX CBR3, TST, HRH3 CCR1 380/4885CCR5 272/4885CCR8 1295/4885

“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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