SCHEMBL17712436

SCHEMBL17712436

O=c1[nH]c(C=Cc2ccccc2Cl)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 14/20 1.00
▸ NPC1 O15118 13/20 1.00
▸ POLB P06746 4/20 1.00
▸ CASP3 P42574 3/20 1.00
▸ SENP7 Q9BQF6 3/20 1.00
▸ SENP6 Q9GZR1 3/20 1.00
▸ KDM4E B2RXH2 5/20 0.72
▸ LMNA P02545 3/20 0.72
▸ ALDH1A1 P00352 4/20 0.71
▸ SMN1; SMN2 Q16637 3/20 0.71
▸ GAA P10253 3/20 0.71
▸ SENP8 Q96LD8 2/20 0.71
▸ MAPT P10636 2/20 0.71
▸ BLM P54132 1/20 0.71
▸ TDP1 Q9NUW8 1/20 0.71
▸ NPSR1 Q6W5P4 1/20 0.71
▸ TUBB4A P04350 4/20 0.67
▸ TUBB P07437 4/20 0.67
▸ TUBA3C P0DPH7 4/20 0.67
▸ TUBA1B P68363 4/20 0.67

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
SCHEMBL16383880 1.00 RAB9A (1.00) RAB9ANPC1POLBCASP3SENP7
SCHEMBL3533833 0.84 RAB9A (1.00) RAB9ANPC1POLBCASP3SENP7
SCHEMBL3533832 0.84 RAB9A (1.00) RAB9ANPC1POLBCASP3SENP7
SCHEMBL5776766 0.83 RAB9A (1.00) RAB9ANPC1POLBCASP3SENP7
SCHEMBL5776769 0.83 RAB9A (1.00) RAB9ANPC1POLBCASP3SENP7
SCHEMBL1508832 0.80 TUBB4A (1.00) RAB9ANPC1POLBCASP3SENP7
SCHEMBL1508835 0.80 TUBB4A (1.00) RAB9ANPC1POLBCASP3SENP7
SCHEMBL12066528 0.79 TUBB4A (0.74) RAB9ANPC1POLBCASP3SENP7
SCHEMBL12066518 0.79 TUBB4A (0.74) RAB9ANPC1POLBCASP3SENP7
SCHEMBL30725598 0.77 TUBB4A (0.71) RAB9ANPC1POLBCASP3SENP7

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-9695193-B2 Inhibitors of Plasmodium falciparum equilibrative nucleoside transporter type I as anti-parasitic compounds THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-07-04 — — US disclosed
US-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS UNIV COLUMBIA (US) 2016-05-05 — — 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-20160122362-A1 INHIBITORS OF PLASMODIUM FALCIPARUM EQUILIBRATIVE NUCLEOSIDE TRANSPORTER TYPE I AS ANTI-PARASITIC COMPOUNDS SLC29A1, SLC29A2, SLC28A1 RAB9A 1709/4885NPC1 144/4885POLB 791/4885

“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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