SCHEMBL6763174

SCHEMBL6763174

S=C(NCCOc1ccccc1)Nc1ccc(Cl)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
RAB9A P51151 7/20 0.57
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
F2 P00734 1/20 0.55
LTC4S Q16873 1/20 0.55
ALDH1A1 P00352 5/20 0.50
NPSR1 Q6W5P4 3/20 0.50
MAPT P10636 3/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CASP3 P42574 2/20 0.49
SENP8 Q96LD8 2/20 0.49
SENP7 Q9BQF6 2/20 0.49
SENP6 Q9GZR1 2/20 0.49
POLB P06746 2/20 0.49
PKM P14618 1/20 0.49
XBP1 P17861 1/20 0.48
NFKB1 P19838 1/20 0.47

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
SCHEMBL6763376 0.85 ALDH1A1 (0.69) LMNARAB9AKMT2ALTC4SALDH1A1
SCHEMBL6766219 0.81 POLB (0.72) LMNARAB9AKMT2AMEN1ALDH1A1
SCHEMBL16670942 0.78 RAB9A (0.77) LMNARAB9AKMT2AMEN1F2
SCHEMBL21533499 0.75 LMNA (1.00) LMNARAB9AKMT2AMEN1F2
SCHEMBL30083706 0.73 LTC4S (0.56) LMNARAB9AKMT2AMEN1LTC4S
SCHEMBL8915482 0.73 SMN1; SMN2 (0.62) LMNARAB9AKMT2AMEN1ALDH1A1
SCHEMBL8914946 0.73 BCL6 (0.66) LMNARAB9AALDH1A1NPSR1MAPT
SCHEMBL7018134 0.72 KMT2A (0.56) LMNARAB9AKMT2AMEN1LTC4S
SCHEMBL8914521 0.72 ALDH1A1 (0.57) LMNARAB9AKMT2AMEN1ALDH1A1
SCHEMBL8915349 0.71 SMN1; SMN2 (0.57) LMNARAB9AKMT2AMEN1ALDH1A1

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 4 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
US-20020151568-A1 Piperidinylethyl-, phenoxyethyl-, and beta-fluorophenethyl-substituted thiourea compounds with potent anti-HIV activity PARKER HUGHES INSTITUTE 2002-10-17 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 (2 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-20020151568-A1 Piperidinylethyl-, phenoxyethyl-, and beta-fluorophenethyl-substituted thiourea compounds with potent anti-HIV activity SAMHD1, PNP, NUDT1 LMNA 4651/4885RAB9A 2832/4885KMT2A 622/4885
US-20030186991-A1 Phenoxyethyl-thiourea-pyridine compounds and their use for treatment of HIV-infections TPMT, TERT, TET1 LMNA 4808/4885RAB9A 3227/4885KMT2A 534/4885

“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.