SCHEMBL22169214

SCHEMBL22169214

CSc1ccccc1NNc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.55
▸ MEN1 O00255 7/20 0.55
▸ ALDH1A1 P00352 4/20 0.52
▸ CTSD P07339 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MAPT P10636 5/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALOX5 P09917 1/20 0.38

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
SCHEMBL22169181 0.80 TDP1 (0.44) KMT2AMEN1ALDH1A1CTSDTDP1
SCHEMBL22169133 0.80 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1CTSDTDP1
SCHEMBL11969154 0.80 MEN1 (0.56) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
SCHEMBL22169096 0.77 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1CTSDTDP1
SCHEMBL31231922 0.74 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
SCHEMBL7869240 0.73 ALDH1A1 (0.57) ALDH1A1CTSDTDP1MAPTRAB9A
SCHEMBL22169234 0.73 TDP1 (0.57) KMT2AMEN1ALDH1A1CTSDTDP1
SCHEMBL24621688 0.72 MEN1 (0.49) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
SCHEMBL30395967 0.72 MEN1 (0.49) KMT2AMEN1ALDH1A1TDP1SMN1; SMN2
Hydrazobenzene SCHEMBL51179 0.72 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1CTSDTDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 — — 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-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A KMT2A 221/4885MEN1 81/4885ALDH1A1 417/4885

“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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