SCHEMBL14286349

SCHEMBL14286349

CN1CN=C(SCc2ccc(Cl)cc2)NC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ SMN1; SMN2 Q16637 6/20 0.40
▸ DAO P14920 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 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
SCHEMBL5132698 0.85 HPGD (0.46) MAPK1MAPTGAAKDM4EALDH1A1
SCHEMBL19019884 0.79 MAPT (0.43) MAPK1MAPTGAACYP1A2CYP2D6
SCHEMBL20677872 0.78 CYP2D6 (0.44) MAPTCYP1A2CYP2D6HIF1ASMN1; SMN2
SCHEMBL5730135 0.75 CYP1A2 (0.70) MAPK1MAPTCYP1A2CYP2D6HIF1A
SCHEMBL14286351 0.75 ALDH1A1 (0.48) MAPTGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL20685661 0.75 KMT2A (0.47) MAPTGAAALDH1A1CYP1A2CYP2D6
SCHEMBL5127715 0.75 ALDH1A1 (0.43) MAPK1MAPTALDH1A1CYP1A2RAB9A
SCHEMBL19019834 0.75 PLA2G7 (0.47) MAPK1MAPTALDH1A1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL29837525 0.74 SMN1; SMN2 (0.49) MAPTGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL19019848 0.74 SLC1A3 (0.42) MAPK1MAPTALDH1A1CYP1A2CYP2D6

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-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION UNIV RUTGERS (US) 2019-01-31 — — US disclosed
WO-2008025152-A1 ANTIBACTERIAL AGENTS MCMASTER UNIVERSITY (CA) 2008-03-06 — — WO 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-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 MAPK1 674/4885MAPT 4110/4885GAA 204/4885

“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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