SCHEMBL19000699

SCHEMBL19000699

O=c1c(Cl)c(Cl)cnn1Cc1ccccc1Br

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.76
▸ NPSR1 Q6W5P4 6/20 0.76
▸ SMN1; SMN2 Q16637 6/20 0.76
▸ POLB P06746 4/20 0.76
▸ MEN1 O00255 3/20 0.76
▸ KMT2A Q03164 3/20 0.76
▸ BLM P54132 1/20 0.76
▸ GPR35 Q9HC97 1/20 0.76
▸ HTT P42858 12/20 0.59
▸ ALDH1A1 P00352 11/20 0.59
▸ MAPT P10636 8/20 0.59
▸ NPC1 O15118 6/20 0.59
▸ XBP1 P17861 2/20 0.59
▸ PAX8 Q06710 2/20 0.59
▸ MCOLN3 Q8TDD5 1/20 0.59
▸ MITF O75030 5/20 0.55
▸ PKM P14618 1/20 0.55
▸ LMNA P02545 4/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52

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
SCHEMBL10642561 0.86 RAB9A (1.00) RAB9ANPSR1SMN1; SMN2POLBMEN1
SCHEMBL18980164 0.82 RAB9A (0.76) RAB9ANPSR1SMN1; SMN2POLBMEN1
SCHEMBL19000702 0.82 RAB9A (0.76) RAB9ANPSR1SMN1; SMN2POLBMEN1
SCHEMBL19000701 0.82 NPSR1 (0.76) RAB9ANPSR1SMN1; SMN2POLBMEN1
SCHEMBL19000698 0.82 NPSR1 (0.76) RAB9ANPSR1SMN1; SMN2POLBMEN1
SCHEMBL4060991 0.80 NPSR1 (0.72) RAB9ANPSR1SMN1; SMN2POLBMEN1
SCHEMBL1691901 0.80 HTT (0.71) RAB9ANPSR1SMN1; SMN2POLBMEN1
SCHEMBL18980016 0.79 RAB9A (0.70) RAB9ANPSR1SMN1; SMN2POLBMEN1
SCHEMBL19000729 0.79 NPBWR1 (0.72) RAB9ANPSR1SMN1; SMN2POLBMEN1
SCHEMBL19000725 0.79 RAB9A (0.70) RAB9ANPSR1SMN1; SMN2POLBMEN1

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-20170173008-A1 ANTIMICROBIAL AGENTS AND SCREENING METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-22 — — US disclosed
US-20170173008-A1 ANTIMICROBIAL AGENTS AND SCREENING METHODS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-06-22 — — 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-20170173008-A1 ANTIMICROBIAL AGENTS AND SCREENING METHODS BAK1, DCLRE1B, BLVRB RAB9A 3085/4885NPSR1 4642/4885SMN1; SMN2 4088/4885

“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.

Send feedback