SCHEMBL14479883

SCHEMBL14479883

O=C(Nc1ccccc1)c1cnc(-c2ccc3c(c2)CCO3)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.60
▸ DNM1L O00429 2/20 0.52
▸ SLC6A3 Q01959 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ PLA2G10 O15496 1/20 0.48
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ PTPN11 Q06124 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CHEK1 O14757 5/20 0.44
▸ PKM P14618 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ FAAH O00519 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
SCHEMBL18573457 0.88 PTPN1 (0.63) PTPN1SLC6A3KCNH2TAAR1NPC1
SCHEMBL6246566 0.84 PLA2G10 (0.59) PLA2G10NPC1RAB9ASMN1; SMN2POLQ
SCHEMBL18573582 0.84 PTPN1 (0.63) PTPN1SLC6A3KCNH2TAAR1NPC1
SCHEMBL21653091 0.81 DNM1L (0.46) PTPN1DNM1LPLA2G10NPC1RAB9A
SCHEMBL12789568 0.77 PTPN1 (0.84) PTPN1SLC6A3KCNH2TAAR1NPC1
SCHEMBL31337446 0.75 PTPN1 (0.67) PTPN1SLC6A3KCNH2TAAR1NPC1
SCHEMBL976455 0.70 CDC7 (0.57) DNM1LPLA2G10NPC1RAB9ASMN1; SMN2
SCHEMBL12790020 0.70 SMN1; SMN2 (0.67) PTPN1SLC6A3KCNH2TAAR1NPC1
SCHEMBL991022 0.70 NOTUM (0.70) NPC1RAB9APOLBSMN1; SMN2
SCHEMBL12789206 0.69 PTPN1 (0.70) PTPN1SLC6A3KCNH2TAAR1NPC1

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-9200046-B2 Reporter system for high throughput screening of compounds and uses thereof CORNELL UNIVERSITY (US) 2015-12-01 — — US disclosed
US-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF CORNELL UNIVERSITY (US) 2013-01-03 — — 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-20130005666-A1 REPORTER SYSTEM FOR HIGH THROUGHPUT SCREENING OF COMPOUNDS AND USES THEREOF NFE2, NFE2L2, UBE2N PTPN1 4679/4885DNM1L 862/4885SLC6A3 2776/4885

“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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