SCHEMBL6763376

SCHEMBL6763376

S=C(NCCOc1ccccc1)Nc1ccc(Br)cn1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
MAPT P10636 4/20 0.63
POLB P06746 3/20 0.63
LTC4S Q16873 1/20 0.57
RAB9A P51151 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 3/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
XBP1 P17861 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 3/20 0.47
ALOX12 P18054 2/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
TSHR P16473 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
SCHEMBL6763174 0.85 LMNA (0.60) ALDH1A1MAPTPOLBLTC4SRAB9A
SCHEMBL7624466 0.82 ALDH1A1 (1.00) ALDH1A1MAPTPOLBLTC4SRAB9A
SCHEMBL29355043 0.82 ALDH1A1 (1.00) ALDH1A1MAPTPOLBLTC4SRAB9A
SCHEMBL6766219 0.81 POLB (0.72) ALDH1A1POLBRAB9ASMN1; SMN2LMNA
SCHEMBL13885949 0.79 ALDH1A1 (0.68) ALDH1A1MAPTPOLBLTC4SRAB9A
SCHEMBL6965655 0.76 ALDH1A1 (0.71) ALDH1A1MAPTPOLBLTC4SRAB9A
Trovirdine SCHEMBL636095 0.76 ALDH1A1 (0.71) ALDH1A1MAPTLTC4SRAB9ASMN1; SMN2
SCHEMBL7224530 0.76 LTC4S (0.87) ALDH1A1MAPTPOLBLTC4SRAB9A
SCHEMBL6231342 0.76 ALDH1A1 (0.69) ALDH1A1MAPTPOLBLTC4SRAB9A
SCHEMBL21533494 0.75 LMNA (0.73) ALDH1A1MAPTPOLBRAB9ASMN1; SMN2

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-6727265-B2 REVERSE TRANSCRIPTASE INHIBITORS FOR DRUG RESISTANT PATIENTS PARKER HUGHES INSTITUTE 2004-04-27 US disclosed
US-6689793-B2 INHIBITORS OF NON-NUCLEOSIDE REVERSE TRANSCRIPTASE AND MULTI-DRUG RESISTANT HUMAN IMMUNODEFICIENCY VIRUS REVERSE TRANSCRIPTASE PARKER HUGHES INSTITUTE 2004-02-10 US disclosed
US-20030186991-A1 Phenoxyethyl-thiourea-pyridine compounds and their use for treatment of HIV-infections PARKER HUGHES INSTITUTE 2003-10-02 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-20030186991-A1 Phenoxyethyl-thiourea-pyridine compounds and their use for treatment of HIV-infections TPMT, TERT, TET1 ALDH1A1 2069/4885MAPT 1822/4885POLB 163/4885

“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.