SCHEMBL30218642 — predicted protein targets

Known targets — ChEMBL curated mechanism

ABL1 ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB2 AGTR1 BCL2 BCL2A1 BCL2L1 BCL2L10 BCL2L2 BCR BRAF CHRM1 CHRNA10 CHRNA9 DRD1 DRD2 DRD3 DRD4 DRD5 EGFR F2 FLT1 FLT4 GCK GHSR GNRHR GRIN1 GRIN2A GRIN2B GRIN2C GRIN2D GRIN3A GRIN3B HTR1A HTR1B HTR1D HTR2A HTR2C HTR3A IDH2 KDR KIT MAOB MCL1 MTTP P P4HB PDGFRB PIK3CA PIK3CB PIK3CD PIK3CG PIK3R1 PIK3R2 PIK3R3 PIK3R5 PIKFYVE ROCK1 ROCK2 SLC18A2 SLC6A2 SLC6A3 SLC6A4 TACR1 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 gyrA gyrB parC parE pol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

	gene	UniProt	supporting neighbours	confidence
▸	DRD3 known ✓	P35462	1/20	0.38

▸	CA12	O43570	2/20	0.43

▸	F13A1	P00488	2/20	0.43

▸	CA2	P00918	2/20	0.43

▸	CYP1A2	P05177	2/20	0.43

▸	ALOX15	P16050	2/20	0.43

▸	CA4	P22748	2/20	0.43

▸	CA6	P23280	2/20	0.43

▸	CA5A	P35218	2/20	0.43

▸	THPO	P40225	2/20	0.43

▸	CA7	P43166	2/20	0.43

▸	CA9	Q16790	2/20	0.43

▸	CA14	Q9ULX7	2/20	0.43

▸	CA5B	Q9Y2D0	2/20	0.43

▸	CASP2	P42575	2/20	0.43

▸	MEN1	O00255	1/20	0.43

▸	CYP2C19	P33261	1/20	0.43

▸	RECQL	P46063	1/20	0.43

▸	KMT2A	Q03164	1/20	0.43

▸	HSD17B10	Q99714	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.

Compound	similarity	top predicted	shared targets
SCHEMBL7690028	0.89	CA12 (0.54)	CA12F13A1CA2CYP1A2ALOX15
Hydrochloric Acid SCHEMBL30087527	0.88	UBE2N (0.56)	CA12F13A1CA2CYP1A2ALOX15
SCHEMBL564392	0.88	CA12 (0.52)	CA12F13A1CA2CYP1A2ALOX15
SCHEMBL7690024	0.84	CA12 (0.50)	CA12F13A1CA2CYP1A2ALOX15
Spermidine SCHEMBL30054580	0.82	CA12 (0.58)	CA12F13A1CA2CYP1A2ALOX15
Spermine SCHEMBL10921247	0.73	CA12 (0.72)	CA12F13A1CA2CYP1A2ALOX15
Spermine SCHEMBL564391	0.71	CA12 (0.77)	CA12F13A1CA2CYP1A2ALOX15
SCHEMBL25400461	0.69	—	—
Spermidine SCHEMBL30480269	0.69	CA12 (0.78)	CA12F13A1CA2CYP1A2ALOX15
SCHEMBL13671485	0.69	CA12 (0.56)	CA12F13A1CA2CYP1A2ALOX15

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20230234983-A1	SQUALAMINE CRYSTALLINE POLYMORPHS	ENTERIN, INC. (US)	2023-07-27	—	—	US	disclosed
US-20230159582-A1	CRYSTALLINE FORMS OF SQUALAMINE	ENTERIN, INC. (US)	2023-05-25	—	—	US	disclosed
EP-4121434-A1	CRYSTALLINE FORMS OF SQUALAMINE	Enterin, Inc. (US)	2023-01-25	—	—	EP	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.

Patent	Title	Text reads most about	Predicted target · text-rank
US-20230159582-A1	CRYSTALLINE FORMS OF SQUALAMINE	HLA-DRB1, SQLE, SFPQ	DRD3 4522/4885CA12 607/4885F13A1 2331/4885
US-20230234983-A1	SQUALAMINE CRYSTALLINE POLYMORPHS	HLA-DRB1, SLC10A2, HLA-A	DRD3 4352/4885CA12 815/4885F13A1 2178/4885

“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.